Staff profile

Responsibilities within department

Head of Condensed Matter Section

Teaching activity

Level 1: Modern Physics

Research interests

• Programming and implementing first principle and empirical computer simulations for solid state, liquid and molecular systems.
• Density functional perturbation theory.
• First principles calculation of spectroscopic measurements.
• Computer simulations of structural and vibrational properties.
• Development of new techniques to calculate excited electronic states.
• Large scale computer simulations using high performance computing.

Conference Paper

• Klarskov, P., Clark, S. J., & Jepsen, P. U. (2014, December). Numerical Investigation of Ultrafast interaction between THz Fields and Crystalline Materials. Presented at 2014 CONFERENCE ON LASERS AND ELECTRO-OPTICS (CLEO), 345 E 47TH ST, NEW YORK, NY 10017 USA
• Gibson, M. C., Clark, S. J., Brand, S., & Abram, R. A. (2004, July). Screened Exchange Calculations of Semiconductor Band Structures. Presented at 27th International Conference on the Physics of Semiconductors : ICPS-27., Flagstaff, Arizona
• Salinero, V., Gibson, M., Brand, S., Clark, S., & Abram, R. (2005, December). First-principles calculations of 2x2 reconstructions of GaN surfaces. Presented at Physics of Semiconductors, Pts A and B Int Union Pure \& Appl Phys; Natl Sci Fdn; AF Off Sci Res; Off Naval Res; Army Res Off; Defense Adv Res Project Agcy; European Off Aerosp Res Dev; Asian Off Aerosp Res \& Dev; Lawrence Berkeley Natl Lab; Natl Inst St, 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
• Clark, S., Wang, X., & Abram, R. (2005, December). Structural and electronic properties of HgTe quantum dots. Presented at Physics of Semiconductors, Pts A and B Int Union Pure \& Appl Phys; Natl Sci Fdn; AF Off Sci Res; Off Naval Res; Army Res Off; Defense Adv Res Project Agcy; European Off Aerosp Res Dev; Asian Off Aerosp Res \& Dev; Lawrence Berkeley Natl Lab; Natl Inst St, 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
• Rushton, P., & Clark, S. (2003, December). Demonstrating the effectiveness of a nonlocal density functional description of exchange and correlation. Presented at FUNDAMENTALS OF ELECTRON DENSITY, DENSITY MATRIX AND DENSITY FUNCTIONAL THEORY IN ATOMS, MOLECULES AND THE SOLID STATE, PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
• Clark, S., Ackland, G., & Crain, J. (1998, December). Electronic structure calculations of liquid crystal molecules: Application to chiral solutes. Presented at LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS Mil Univ Technol, Inst Appl Phys, Warsaw, Poland; Mil Univ Technol, Inst Chem, Warsaw, Poland; State Comm Sci Res, Poland; Soc Photo Opt Instrumentat Engineers; Commiss European Communities, Directorat, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
• Adam, C., Clark, S., & Crain, J. (1998, December). Structure, dynamics and molecular properties of liquid crystals molecules and fragments from first principles computer simulations performed on Cray T3D. Presented at LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS Mil Univ Technol, Inst Appl Phys, Warsaw, Poland; Mil Univ Technol, Inst Chem, Warsaw, Poland; State Comm Sci Res, Poland; Soc Photo Opt Instrumentat Engineers; Commiss European Communities, Directorat, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
• Maclean, J., Hatton, P., Crain, J., Piltz, R., & Clark, S. (1996, December). Structural refinement and stability of silicon XII. Presented at EUROPEAN POWDER DIFFRACTION: EPDIC IV, PTS 1 AND 2 Philips Anal X Ray; CLRC Daresbury Lab, BRANDRAIN 6, CH-8707 ZURICH-UETIKON, SWITZERLAND
• Hatton, P., Crain, J., Ackland, G., Clark, S., & Piltz, R. (1994, December). Metastable Structures Of Tetrahedral Semiconductors. Presented at Joint Conference of the International-Association-for-Research-and-Advancement-of-High-Pressure-Science-and-Technology/American-Physical-Society-Topical-Group-on-Shock-Compression-of-Condensed-Matter, Colorado Springs

Journal Article

• Hebberd, G. R., Mendis, B., Bowen, L., Clark, S. J., & Mccabe, E. E. (2024). La₂O₂MQ₂ phases: stability and synthetic challenges. Solid State Sciences, 157, Article 107719. https://doi.org/10.1016/j.solidstatesciences.2024.107719
• Coak, M. J., Curley, S. P. M., Hawkhead, Z., Tidey, J. P., Graf, D., Clark, S. J., Sengupta, P., Manson, Z. E., Lancaster, T., Goddard, P. A., & Manson, J. L. (2023). Asymmetric phase diagram and dimensional crossover in a system of spin-12 dimers under applied hydrostatic pressure. Physical Review B, 108(22), Article 224431. https://doi.org/10.1103/physrevb.108.224431
• Hawkhead, Z., Hicken, T. J., Bentley, N. P., Huddart, B. M., Clark, S. J., & Lancaster, T. (2023). Band-filling-controlled magnetism from transition metal intercalation in N1/3NbS2 revealed with first-principles calculations. Physical Review Materials, 7(11), Article 114002. https://doi.org/10.1103/physrevmaterials.7.114002
• Talmantaite, A., Xie, Y., Cohen, A., Mohapatra, P., Ismach, A., Mizoguchi, T., Clark, S., & Mendis, B. (2023). Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory. Physical Review B, 107(23), Article 235424. https://doi.org/10.1103/physrevb.107.235424
• Ardimas, Pakornchote, T., Sukmas, W., Chatraphorn, S., Clark, S. J., & Bovornratanaraks, T. (2023). Phase transformations and vibrational properties of hybrid organic–inorganic perovskite MAPbI 3 bulk at high pressure. Scientific Reports, 13(1), Article 16854. https://doi.org/10.1038/s41598-023-43020-1
• Clark, S. J., & Hawkhead, Z. (2023). Non-collinear spin in electronic structure calculations. Contemporary Physics, 64(2), 111-126 . https://doi.org/10.1080/00107514.2023.2279810
• Huddart, B., Lancaster, T., Blundell, S., Guguchia, Z., Taniguchi, H., Clark, S., & Pratt, F. (2023). μSR investigation of magnetism in κ−(ET)2X : Antiferromagnetism. Physical Review Research, 5(1), Article 013015. https://doi.org/10.1103/physrevresearch.5.013015
• Hicken, T., Hawkhead, Z., Wilson, M., Huddart, B., Hall, A., Balakrishnan, G., Wang, C., Pratt, F., Clark, S., & Lancaster, T. (2022). Energy-gap driven low-temperature magnetic and transport properties in Cr1/3MS2(M = Nb, Ta). Physical Review B, 105(6), Article L060407. https://doi.org/10.1103/physrevb.105.l060407
• Younes, A., De la Flor, S., Clark, S., Nutter, J., Birkett, M., Watson, J., Unthank, M., & Gonzalez, S. (2022). Tribological Behavior of Microalloyed Cu50Zr50 Alloy. Journal of Tribology, 144(2), Article 021706. https://doi.org/10.1115/1.4052363
• Goldie, S. J., Degiacomi, M. T., Jiang, S., Clark, S. J., Erastova, V., & Coleman, K. S. (2022). Identification of Graphene Dispersion Agents through Molecular Fingerprints. ACS Nano, 16(10), https://doi.org/10.1021/acsnano.2c04406
• Huddart, B., Onuorah, I., Isah, M., Bonfa, P., Blundell, S., Clark, S., De Renzi, R., & Lancaster, T. (2021). Intrinsic nature of spontaneous magnetic fields in superconductors with time-reversal symmetry breaking. Physical Review Letters, 127(23), Article 237002. https://doi.org/10.1103/physrevlett.127.237002
• Curley, S., Huddart, B., Kamenskyi, D., Coak, M., Williams, R., Ghannadzadeh, S., Schneider, A., Okubo, S., Sakurai, T., Ohta, H., Tidey, J., Graf, D., Clark, S., Blundell, S., Pratt, F., Telling, M., Lancaster, T., Manson, J., & Goddard, P. (2021). Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species. Physical Review B, 104(21), Article 214435. https://doi.org/10.1103/physrevb.104.214435
• Auckett, J. E., Lopez-Odriozola, L., Clark, S. J., & Radosavljevic Evans, I. (2021). Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4. Journal of Materials Chemistry A: materials for energy and sustainability, 9(7), 4091-4102. https://doi.org/10.1039/d0ta07453e
• Kaplan, A. D., Clark, S. J., Burke, K., & Perdew, J. P. (2021). Calculation and interpretation of classical turning surfaces in solids. npj Computational Materials, 7, Article 25. https://doi.org/10.1038/s41524-020-00479-0
• Lu, H., Clark, S., Guo, Y., & Robertson, J. (2021). The metal–insulator phase change in vanadium dioxide and its applications. Journal of Applied Physics, 129(24), Article 240902. https://doi.org/10.1063/5.0027674
• Friedrich, A., Collings, I. E., Dziubek, K. F., Fanetti, S., Radacki, K., Ruiz-Fuertes, J., Pellicer-Porres, J., Hanfland, M., Sieh, D., Bini, R., Clark, S. J., & Marder, T. B. (2020). Pressure-Induced Polymerization of Polycyclic Arene–Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Design of Columnar Hydrofluorocarbons. Journal of the American Chemical Society, 142(44), 18907-18923. https://doi.org/10.1021/jacs.0c09021
• Arh, T., Gomilšek, M., Prelovšek, P., Pregelj, M., Klanjšek, M., Ozarowski, A., Clark, S., Lancaster, T., Sun, W., Mi, J.-X., & Zorko, A. (2020). Origin of Magnetic Ordering in a Structurally Perfect Quantum Kagome Antiferromagnet. Physical Review Letters, 125(2), Article 027203. https://doi.org/10.1103/physrevlett.125.027203
• Hicken, T., Holt, S., Franke, K., Hawkhead, Z., Štefančič, A., Wilson, M., Gomilšek, M., Huddart, B., Clark, S., Lees, M., Pratt, F., Blundell, S., Balakrishnan, G., & Lancaster, T. (2020). Magnetism and Néel skyrmion dynamics in GaV4S8−ySey. Physical Review Research, 2(3), Article 032001. https://doi.org/10.1103/physrevresearch.2.032001
• Lu, H., Clark, S., Guo, Y., & Robertson, J. (2020). Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide. Physical Chemistry Chemical Physics, 22(24), 13474-13478. https://doi.org/10.1039/d0cp01929a
• Zhang, Z., Guo, Y., Lu, H., Clark, S. J., & Robertson, J. (2020). Hybrid band offset calculation for heterojunction interfaces between disparate semiconductors. Applied Physics Letters, 116(13), Article 131602. https://doi.org/10.1063/1.5135376
• Benton, C., Mitchell, C., Coleman, M., Paling, S., Lincoln, D., Thompson, L., Clark, S., & Gluyas, J. (2020). Optimizing geophysical muon radiography using information theory. Geophysical Journal International, 220(2), 1078-1094. https://doi.org/10.1093/gji/ggz503
• Pozina, G., Ivanov, K. A., Morozov, K. M., Girshova, E. I., Egorov, A. Y., Clark, S. J., & Kaliteevski, M. A. (2019). Enhancement of light emission in Bragg monolayer-thick quantum well structures. Scientific Reports, 9(1), Article 10162. https://doi.org/10.1038/s41598-019-46646-2
• Guo, Y., Li, H., Clark, S., & Robertson, J. (2019). Band Offset Models of Three-Dimensionally Bonded Semiconductors and Insulators. Journal of Physical Chemistry C, 123(9), 5562-5570. https://doi.org/10.1021/acs.jpcc.9b00152
• Tarekegne, A. T., Zhou, B., Kaltenecker, K., Iwaszczuk, K., Clark, S., & Jepsen, P. U. (2019). Terahertz time-domain spectroscopy of zone-folded acoustic phonons in 4H and 6H silicon carbide. Optics Express, 27(3), 3618-3628. https://doi.org/10.1364/oe.27.003618
• He, C., Shi, X., Clark, S., Li, J., Pickard, C. J., Ouyang, T., Zhang, C., Tang, C., & Zhong, J. (2018). Complex Low Energy Tetrahedral Polymorphs of Group IV Elements from First Principles. Physical Review Letters, 121(17), Article 175701. https://doi.org/10.1103/physrevlett.121.175701
• Lancaster, T., Xiao, F., Huddart, B., Williams, R., Pratt, F., Blundell, S., Clark, S., Scheuermann, R., Goko, T., Ward, S., Manson, J., Rüegg, C., & Krämer, K. (2018). Quantum magnetism in molecular spin ladders probed with muon-spin spectroscopy. New Journal of Physics, 20(10), Article 103002. https://doi.org/10.1088/1367-2630/aae21a
• Franke, K. J., Huddart, B. M., Hicken, T. J., Xiao, F., Blundell, S. J., Pratt, F. L., Crisanti, M., Barker, J. A., Clark, S. J., Štefančič, A., Hatnean, M. C., Balakrishnan, G., & Lancaster, T. (2018). Magnetic phases of skyrmion-hosting GaV4S8−ySey (y = 0, 2, 4, 8) probed with muon spectroscopy. Physical Review B, 98(5), Article 054428. https://doi.org/10.1103/physrevb.98.054428
• Plekhanov, E., Hasnip, P., Sacksteder, V., Probert, M., Clark, S. J., Refson, K., & Weber, C. (2018). Many-body renormalization of forces in f-electron materials. Physical review B, 98(7), Article 075129. https://doi.org/10.1103/physrevb.98.075129
• Jacquet, A., Geatches, D. L., Clark, S. J., & Greenwell, H. C. (2018). Understanding cationic polymer adsorption on mineral surfaces: kaolinite in cement aggregates. Minerals, 8(4), Article 130. https://doi.org/10.3390/min8040130
• Manson, J. L., Brambleby, J., Goddard, P. A., Spurgeon, P. M., Villa, J. A., Liu, J., Ghannadzadeh, S., Foronda, F., Singleton, J., Lancaster, T., Clark, S. J., Thomas, I. O., Xiao, F., Williams, R. C., Pratt, F. L., Blundell, S. J., Topping, C. V., Baines, C., Campana, C., & Noll, B. (2018). Implications of bond disorder in a S=1 kagome lattice. Scientific Reports, 8(1), Article 4745. https://doi.org/10.1038/s41598-018-23054-6
• Schoonmaker, R., Lancaster, T., & Clark, S. (2018). Quantum mechanical tunneling in the automerization of cyclobutadiene. The Journal of Chemical Physics, 148(10), Article 104109. https://doi.org/10.1063/1.5019254
• Clark, S. J., Hollins, T. W., Refson, K., & Gidopoulos, N. I. (2017). Self-interaction free local exchange potentials applied to metallic systems. Journal of Physics: Condensed Matter, 29(37), Article 374002. https://doi.org/10.1088/1361-648x/aa7ba6
• Thomas, I., Clark, S., & Lancaster, T. (2017). Exchange constants in molecule-based magnets derived from density functional methods. Physical Review B, 96(9), Article 094403. https://doi.org/10.1103/physrevb.96.094403
• Ivanov, K., Girshova, E., Kaliteevski, M., CLark, S., & Gallant, A. (2016). Anharmonic Bloch oscillations of electrons in electrically biased superlattices. Semiconductors, 50(11), 1463-1468. https://doi.org/10.1134/s1063782616110117
• Lancaster, T., Xiao, F., Salman, Z., Thomas, I., Blundell, S., Pratt, F., Clark, S., Prokscha, T., Suter, A., Zhang, S., Baker, A., & Hesjedal, T. (2016). Transverse field muon-spin rotation measurement of the topological anomaly in a thin film of MnSi. Physical Review B, 93(14), Article 140412(R). https://doi.org/10.1103/physrevb.93.140412
• Lejaeghere, K., Bihlmayer, G., Bjoerkman, T., Blaha, P., Bluegel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dulak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., …Cottenier, S. (2016). Reproducibility in density functional theory calculations of solids. Science, 351(6280), Article aad3000. https://doi.org/10.1126/science.aad3000
• Grégoire, B., Erastova, V., Geatches, D. L., Clark, S. J., Greenwell, H. C., & Fraser, D. G. (2016). Insights into the Behaviour of Biomolecules on the Early Earth: The Concentration of Aspartate by Layered Double Hydroxide Minerals. Geochimica et Cosmochimica Acta, 176, 239-258. https://doi.org/10.1016/j.gca.2015.12.026
• Williams, R., Xiao, F., Thomas, I., Clark, S., Lancaster, T., Cornish, G., Blundell, S., Hayes, W., Paul, A., Felser, C., & Jansen, M. (2016). Muon-spin relaxation study of the double perovskite insulators Sr2 BOsO6 (B  =  Fe, Y, ln). Journal of Physics: Condensed Matter, 28(7), Article 076001. https://doi.org/10.1088/0953-8984/28/7/076001
• Pozina, G., Kaliteevski, M., Nikitina, E., Denisov, D., Polyakov, N., Pirogov, E., Goray, L., Gubaydullin, A., Ivanov, K., Kaliteevskaya, N., Egorov, A. Y., & Clark, S. (2015). Super-radiant mode in InAs-monolayer-based Bragg structures. Scientific Reports, 5, Article 14911. https://doi.org/10.1038/srep14911
• Lancaster, T., Williams, R., Thomas, I., Xiao, F., Pratt, F., Blundell, S., Loudon, J., Hesjedal, T., Clark, S., Hatton, P., Ciomaga Hatnean, M., Keeble, D., & Balakrishnan, G. (2015). Transverse field muon-spin rotation signature of the skyrmion-lattice phase in Cu2OSeO3. Physical review B, 91(22), Article 224408. https://doi.org/10.1103/physrevb.91.224408
• Guo, Y., Robertson, J., & Clark, S. J. (2015). The effects of screening length in the non-local screened-exchange functional. Journal of Physics: Condensed Matter, 27(2), Article 025501. https://doi.org/10.1088/0953-8984/27/2/025501
• Ali, N., Williams, R., Xiao, F., Clark, S., Lancaster, T., Blundell, S., Sheptyakov, D., & Jansen, M. (2015). Magnetostructural relationship in the tetrahedral spin-chain oxide CsCoO2. Physical review B, 91(2), Article 024419. https://doi.org/10.1103/physrevb.91.024419
• Hasnip, P. J., Refson, K., Probert, M. I., Yates, J. R., Clark, S. J., & Pickard, C. J. (2014). Density functional theory in the solid state. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 372(2011), Article 20130270. https://doi.org/10.1098/rsta.2013.0270
• Guo, Y., Clark, S. J., & Robertson, J. (2014). Calculation of metallic and insulating phases of V2O3 by hybrid density functionals. The Journal of Chemical Physics, 140(5), Article 054702. https://doi.org/10.1063/1.4863325
• Gillen, R., Clark, S., & Robertson, J. (2013). Nature of the electronic band gap in lanthanide oxides. Physical review B, 87(12), Article 125116. https://doi.org/10.1103/physrevb.87.125116
• Tuxworth, A. J., McCabe, E. E., Free, D. G., Clark, S. J., & Evans, J. S. (2013). Structural Characterization and Physical Properties of the New Transition Metal Oxyselenide La2O2ZnSe2. Inorganic Chemistry, 52(4), 2078-2085. https://doi.org/10.1021/ic302484x
• Whale, T. F., Clark, S. J., Finney, J. L., & Salzmann, C. G. (2013). DFT-assisted interpretation of the Raman spectra of hydrogen-ordered ice XV. Journal of Raman Spectroscopy, 44(2), 290-298. https://doi.org/10.1002/jrs.4170
• Geatches, D. L., Clark, S. J., & Greenwell, H. C. (2013). DFT+U investigation of the catalytic properties of ferruginous clay. American Mineralogist, 98(1), 132-140. https://doi.org/10.2138/am.2013.4204
• Hunt, M., & Clark, S. (2012). Extraordinarily Long-Ranged Structural Relaxation in Defective Achiral Carbon Nanotubes. Physical Review Letters, 109(26), Article 265502. https://doi.org/10.1103/physrevlett.109.265502
• Gillen, R., Robertson, J., & Clark, S. (2012). Electron spin resonance signature of the oxygen vacancy in HfO2. Applied Physics Letters, 101(10), Article 102904. https://doi.org/10.1063/1.4751110
• Tulip, P., Bates, S., & Clark, S. (2012). The high-pressure electronic structure of the [Ni(ptdt)2] organic molecular conductor. The Journal of Chemical Physics, 137(2), Article 024701. https://doi.org/10.1063/1.4731692
• Lee, H.-Y., Clark, S. J., & Robertson, J. (2012). Calculation of point defects in rutile TiO2 by the screened-exchange hybrid functional. Physical review B, 86(7), Article 075209. https://doi.org/10.1103/physrevb.86.075209
• Robertson, J., Gillen, R., & Clark, S. (2012). Advances in understanding of transparent conducting oxides. Thin Solid Films, 520(10, SI), 3714-3720. https://doi.org/10.1016/j.tsf.2011.10.063
• Geatches, D. L., Jacquet, A., Clark, S. J., & Greenwell, H. C. (2012). Monomer Adsorption on Kaolinite: Modeling the Essential Ingredients. Journal of Physical Chemistry C, 116(42), 22365-22374. https://doi.org/10.1021/jp306371m
• Guo, Y., Clark, S. J., & Robertson, J. (2012). Electronic and magnetic properties of Ti2O3, Cr2O3, and Fe2O3 calculated by the screened exchange hybrid density functional. Journal of Physics: Condensed Matter, 24(32), Article 325504. https://doi.org/10.1088/0953-8984/24/32/325504
• Apperley, D. C., Batsanov, A. S., Clark, S. J., Harris, R. K., Hodgkinson, P., & Jochym, D. B. (2012). Computation of magnetic shielding to simultaneously validate a crystal structure and assign a solid-state NMR spectrum. Journal of Molecular Structure, 1015, 192-201. https://doi.org/10.1016/j.molstruc.2011.10.024
• Geatches, D., Clark, S., & Greenwell, H. (2012). Iron reduction in nontronite-type clay minerals: Modelling a complex system. Geochimica et Cosmochimica Acta, 81, 13-27. https://doi.org/10.1016/j.gca.2011.12.013
• Hollins, T., Clark, S., Refson, K., & Gidopoulos, N. (2012). Optimized effective potential using the Hylleraas variational method. Physical review B, 85(23), Article 235126. https://doi.org/10.1103/physrevb.85.235126
• Lin, L., Robertson, J., & Clark, S. (2011). Shifting Schottky barrier heights with ultra-thin dielectric layers. Microelectronic Engineering, 88(7), 1461-1463. https://doi.org/10.1016/j.mee.2011.03.049
• Clark, S., Lin, L., & Robertson, J. (2011). On the identification of the oxygen vacancy in HfO(2). Microelectronic Engineering, 88(7), 1464-1466. https://doi.org/10.1016/j.mee.2011.03.078
• Clark, S., Herbert, A., Uhrin, D., Hakobyan, S., Morgan, B., Bishop, P., & Day, A. (2011). Characterisation of the GAG-binding properties of complement factor H, an immune regulator associated with AMD. International Journal of Experimental Pathology, 92(3), A37-A38
• Geatches, D., Greenwell, H., & Clark, S. (2011). Ab initio transition state searching in complex systems: Fatty acid decarboxylation in minerals. The Journal of Physical Chemistry A, 115(12), 2658-2667. https://doi.org/10.1021/jp200106x
• Clark, S. J., Jouanna, P., Haines, J., & Mainprice, D. (2011). Calculation of infrared and Raman vibration modes of magnesite at high pressure by density-functional perturbation theory and comparison with experiments. Physics and Chemistry of Minerals, 38(3), 193-202. https://doi.org/10.1007/s00269-010-0395-y
• Clark, S., & Robertson, J. (2011). Calculation of semiconductor band structures and defects by the screened exchange density functional. physica status solidi (b) – basic solid state physics, 248(3), 537-546. https://doi.org/10.1002/pssb.201046110
• Robertson, J., & Clark, S. (2011). Limits to doping in oxides. Physical review B, 83(7), Article 075205. https://doi.org/10.1103/physrevb.83.075205
• Tan, O., Clark, S., Szablewski, M., & Cross, G. (2010). Understanding the optical spectroscopy of amphiphilic molecular rectifiers: A density functional approach. The Journal of Chemical Physics, 133(24), Article 244702. https://doi.org/10.1063/1.3516177
• Khan, G. G., Clark, S., & Bandyopadhyay, N. (2010). ELECTRONIC, MECHANICAL AND OPTICAL PROPERTIES OF Si(3)P(4) AND Ge(3)P(4): AN AB INITIO STUDY. International Journal of Modern Physics B, 24(28), 5487-5494. https://doi.org/10.1142/s0217979210055354
• Geatches, D. L., Clark, S. J., & Greenwell, H. C. (2010). Role of Clay Minerals in Oil-Forming Reactions. The Journal of Physical Chemistry A, 114(10), 3569-3575. https://doi.org/10.1021/jp9096869
• Clark, S., Robertson, J., Lany, S., & Zunger, A. (2010). Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals. Physical review B, 81(11), Article 115311. https://doi.org/10.1103/physrevb.81.115311
• Liu, D., Clark, S., & Robertson, J. (2010). Oxygen vacancy levels and electron transport in Al(2)O(3). Applied Physics Letters, 96(3), Article 032905. https://doi.org/10.1063/1.3293440
• Milman, V., Refson, K., Clark, S., Pickard, C., Yates, J., Gao, S. .-P., Hasnip, P., Probert, M., Perlov, A., & Segall, M. (2010). Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation. Journal of molecular structure. Theochem, 954(1-3, SI), 22-35. https://doi.org/10.1016/j.theochem.2009.12.040
• Clark, S. J., & Robertson, J. (2010). Screened exchange density functional applied to solids. Physical review B, 82(8), Article 085208. https://doi.org/10.1103/physrevb.82.085208
• Gremaud, R., Lodziana, Z., Hug, P., Willenberg, B., Racu, A.-M., Schoenes, J., Ramirez-Cuesta, A., Clark, S., Refson, K., Zuettel, A., & Borgschulte, A. (2009). Evidence for hydrogen transport in deuterated LiBH(4) from low-temperature Raman-scattering measurements and first-principles calculations. Physical review B, 80(10), Article 100301. https://doi.org/10.1103/physrevb.80.100301
• Clark, S., & Robertson, J. (2009). Energy levels of oxygen vacancies in BiFeO(3) by screened exchange. Applied Physics Letters, 94(2), Article 022902. https://doi.org/10.1063/1.3070532
• Milman, V., Perlov, A., Refson, K., Clark, S. J., Gavartin, J., & Winkler, B. (2009). Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study. Journal of Physics: Condensed Matter, 21(48), Article 485404. https://doi.org/10.1088/0953-8984/21/48/485404
• Hintschich, S. I., Rothe, C., King, S. M., Clark, S. J., & Monkman, A. P. (2008). The Complex Excited-state Behavior of a Polyspirobifluorene Derivative: The Role of Spiroconjugation and Mixed Charge Transfer Character on Excited-state Stabilization and Radiative Lifetime. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 112(51), 16300-16306. https://doi.org/10.1021/jp8044884
• Palai, R., Katiyar, R., Schmid, H., Tissot, P., Clark, S., Robertson, J., Redfern, S., Catalan, G., & Scott, J. (2008). β phase and γ-β metal-insulator transition in multiferroic BiFeO3. Physical review B, 77(1), Article 014110. https://doi.org/10.1103/physrevb.77.014110
• Xiong, K., Robertson, J., & Clark, S. (2008). Electronic defects in LaAlO3. Microelectronic Engineering, 85(1, SI), 65-69. https://doi.org/10.1016/j.mee.2007.01.181
• Jones, P. A., Archer, T. K., Baylin, S. B., Beck, S., Berger, S., Bernstein, B. E., Carpten, J. D., Clark, S. J., Costello, J. F., Doerge, R. W., Esteller, M., Feinberg, A. P., Gingeras, T. R., Greally, J. M., Henikoff, S., Herman, J. G., Jackson-Grusby, L., Jenuwein, T., Jirtle, R. L., Kim, Y.-J., …Excellence, E. U. N. (2008). Moving AHEAD with an international human epigenome project. Nature, 454(7205), 711-715. https://doi.org/10.1038/454711a
• Soleilhavoup, A., Hampson, M. R., Clark, S. J., Evans, J. S., & Hodgkinson, P. (2007). Using O-17 solid-state NMR and first principles calculation to characterise structure and dynamics in inorganic framework materials. Magnetic Resonance in Chemistry, 45(S), S144-S155. https://doi.org/10.1002/mrc.2128
• Xiong, K., Robertson, J., & Clark, S. (2007). Behavior of hydrogen in wide band gap oxides. Journal of Applied Physics, 102(8), Article 083710. https://doi.org/10.1063/1.2798910
• Jochym, D. B., & Clark, S. J. (2007). Exchange-correlation holes in metal surfaces using nonlocal density-functional theory. Physical review B, 76(7), Article 075411. https://doi.org/10.1103/physrevb.76.075411
• Clark, S., & Robertson, J. (2007). Band gap and Schottky barrier heights of multiferroic BiFeO3. Applied Physics Letters, 90(13), Article 132903. https://doi.org/10.1063/1.2716868
• Zheng, G., Clark, S., Brand, S., & Abram, R. (2007). Non-local density functional description of poly-para-phenylene vinylene. Chinese Physics Letters, 24(3), 807-810. https://doi.org/10.1088/0256-307x/24/3/061
• Geary, E. A., Yellowlees, L. J., Parsons, S., Pilia, L., Serpe, A., Mercuri, M. L., Deplano, P., Clark, S. J., & Robertson, N. (2007). Influence of the R-substituents on the properties of [Ni(R(2)pipdt)(dmit)] complexes and crystal structure where R = CH2C6H5. Dalton Transactions, 5453-5459. https://doi.org/10.1039/b712243h
• Lee, J. M., Davis, M. M., Clark, S. J., & Kemper, A. R. (2007). Threshold of evaluation for short stature in a pediatric endocrine clinic: Differences between boys versus girls?
• Jepsen, P. U., & Clark, S. J. (2007). Precise ab-initio prediction of terahertz vibrational modes in crystalline systems. Chemical Physics Letters, 442(4-6), 275-280. https://doi.org/10.1016/j.cplett.2007.05.112
• Robbins, A., Ng, W., Jochym, D., Keal, T., Clark, S., Tozer, D., & Hodgkinson, P. (2007). Combining insights from solid-state NMR and first principles calculation: applications to the ¹⁹F NMR of octafluoronaphthalene. Physical Chemistry Chemical Physics, 9(19), 2389-2396. https://doi.org/10.1039/b701291h
• Kemper, A. R., & Clark, S. J. (2007). Preschool vision screening by family physicians
• Hinshelwood, R. A., Huschtscha, L. I., Melki, J., Stirzaker, C., Abdipranoto, A., Vissel, B., Ravasi, T., Wells, C. A., Hume, D. A., Reddel, R. R., & Clark, S. J. (2007). Concordant epigenetic silencing of transforming growth factor-beta signaling pathway genes occurs early in breast carcinogenesis. Cancer Research, 67(24), 11517-11527. https://doi.org/10.1158/0008-5472.can-07-1284
• Kemper, A. R., Uren, R. L., Moseley, K. L., & Clark, S. J. (2006). Primary care physicians' attitudes regarding follow-up care for children with positive newborn screening results. Pediatrics, 118(5), 1836-1841. https://doi.org/10.1542/peds.2006-1639
• Heaton, R. J., Madden, P. A., Clark, S. J., & Jahn, S. (2006). Condensed phase ionic polarizabilities from plane wave density functional theory calculations. The Journal of Chemical Physics, 125(14), Article 144104. https://doi.org/10.1063/1.2357151
• Zheng, G., Clark, S., Brand, S., & Abram, R. (2006). Lattice dynamics of polyaniline and poly(p-pyridyl vinyline): First-principles determination. Physical review B, 74(16), https://doi.org/10.1103/physrevb.74.165210
• Kemper, A. R., Uren, R. L., & Clark, S. J. (2006). Barriers to follow-up eye care after preschool vision screening in the primary care setting: Findings from a pilot study. Journal of AAPOS, 10(5), 476-478. https://doi.org/10.1016/j.jaapos.2006.07.009
• Tulip, P., & Clark, S. (2006). Lattice dynamical and dielectric properties of L-amino acids. Physical review B, 74(6), Article 064301. https://doi.org/10.1103/physrevb.74.064301
• McGregor, P. A., Allan, D. R., Parsons, S., & Clark, S. J. (2006). Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O). Acta crystallographica. Section B, Structural science, 62(Part 4), 599-605. https://doi.org/10.1107/s0108768106015424
• Xiong, K., Robertson, J., & Clark, S. (2006). Defect states in the high-dielectric-constant gate oxide LaAlO3. Applied Physics Letters, 89(2), Article 022907. https://doi.org/10.1063/1.2221521
• Xiong, K., Robertson, J., & Clark, S. (2006). Defect energy states in high-K gate oxides. physica status solidi (b) – basic solid state physics, 243(9), 2071-2080. https://doi.org/10.1002/pssb.200666803
• Kemper, A., Uren, R., & Clark, S. (2006). Adoption of electronic health records in primary care pediatric practices. Pediatrics, 118(1), E20-E24. https://doi.org/10.1542/peds.2005-3000
• Robertson, J., Xiong, K., & Clark, S. (2006). Band structure of functional oxides by screened exchange and the weighted density approximation. physica status solidi (b) – basic solid state physics, 243(9), 2054-2070. https://doi.org/10.1002/pssb.200666802
• Timon, V., Brand, S., Clark, S., & Abram, R. (2006). Molecular dynamics calculations of the thermal expansion properties and melting points of Si and Ge. Journal of Physics: Condensed Matter, 18(13), 3489-3498. https://doi.org/10.1088/0953-8984/18/13/016
• Moggach, S., Allan, D., Clark, S., Gutmann, M., Parsons, S., Pulham, C., & Sawyer, L. (2006). High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV. Acta crystallographica. Section B, Structural science, 62(Part 2), 296-309. https://doi.org/10.1107/s0108768105038802
• Refson, K., Tulip, P., & Clark, S. (2006). Variational density-functional perturbation theory for dielectrics and lattice dynamics. Physical review B - Condensed Matter and Materials Physics, 73(15), Article 155114. https://doi.org/10.1103/physrevb.73.155114
• Gibson, M., Brand, S., & Clark, S. (2006). Screened-exchange stress tensor in density functional theory. Physical review B, 73(12), Article 125120. https://doi.org/10.1103/physrevb.73.125120
• Szablewski, M., Bloor, D., Kagawa, Y., Mosurkal, R., Cole, J., Clark, S., Cross, G., & Palsson, L. (2006). Matrix dependence of blue light emission from a novel NH2-functionalized dicyanoquinodimethane derivative. Journal of Physical Organic Chemistry, 19(3), 206-213. https://doi.org/10.1002/poc.1020
• Xiong, K., Robertson, J., & Clark, S. (2006). Passivation of oxygen vacancy states in HfO2 by nitrogen. Journal of Applied Physics, 99(4), Article 044105. https://doi.org/10.1063/1.2173688
• Robertson, J., Xiong, K., & Clark, S. (2006). Band gaps and defect levels in functional oxides. Thin Solid Films, 496(1), 1-7. https://doi.org/10.1016/j.tsf.2005.08.175
• Gibbons, D. W., Bohan, D. A., Rothery, P., Stuart, R. C., Haughton, A. J., Scott, R. J., Wilson, J. D., Perry, J. N., Clark, S. J., Dawson, R. J., & Firbank, L. G. (2006). Weed seed resources for birds in fields with contrasting conventional and genetically modified herbicide-tolerant crops. Proceedings of the Royal Society B: Biological Sciences, 273(1596), 1921-1928. https://doi.org/10.1098/rspb.2006.3522
• Xiong, K., Robertson, J., Gibson, M., & Clark, S. (2005). Defect energy levels in HfO2 high-dielectric-constant gate oxide. Applied Physics Letters, 87(18), Article 183505. https://doi.org/10.1063/1.2119425
• Moggach, S., Clark, S., & Parsons, S. (2005). L-cysteine-I at 30 K. Acta crystallographica. Section E, 61(Part 8), O2739-O2742. https://doi.org/10.1107/s1600536805023688
• Timon, V., Brand, S., Clark, S., Gibson, M., & Abram, R. (2005). First-principles calculations of 2x2 reconstructions of GaN(0001) surfaces involving N, Al, Ga, In, and as atoms. Physical review B, 72(3), https://doi.org/10.1103/physrevb.72.035327
• Zheng, G., Clark, S., Tulip, P., Brand, S., & Abram, R. (2005). Ab initio dynamics study of poly-para-phenylene vinylene. The Journal of Chemical Physics, 123(2), Article 024904. https://doi.org/10.1063/1.1955516
• Giblin, S., Terry, I., Clark, S., Prokscha, T., Prabhakaran, D., Boothroyd, A., Wu, J., & Leighton, C. (2005). Observation of magnetic excitons in LaCoO 3. European Physical Society Letters, 70(5), 677-683. https://doi.org/10.1209/epl/i2004-10519-4
• Tulip, P., & Clark, S. (2005). Structural and electronic properties of L-amino acids. Physical review B, 71(19), Article 195117. https://doi.org/10.1103/physrevb.71.195117
• Timon, V., Brand, S., Clark, S., & Abram, R. (2005). Theoretical adlayer surface morphology of wurtzite 2 × 2 reconstructions of the GaN (0001) surface. Journal of Physics: Condensed Matter, 17(1), 17-26. https://doi.org/10.1088/0953-8984/17/1/002
• Dawson, A., Allan, D., Belmonte, S., Clark, S., David, W., McGregor, P., Parsons, S., Pulham, C., & Sawyer, L. (2005). Effect of high pressure on the crystal structures of polymorphs of glycine. Crystal Growth and Design, 5(4), 1415-1427. https://doi.org/10.1021/cg049716m
• Chisholm, J., Motherwell, S., Tulip, P., Parsons, S., & Clark, S. (2005). An ab initio study of observed and hypothetical polymorphs of glycine. Crystal Growth and Design, 5(4), 1437-1442. https://doi.org/10.1021/cg0496235
• Staniland, S., Fujita, W., Umezono, Y., Awaga, K., Clark, S., Cui, H., Kobayashi, H., & Robertson, N. (2005). A unique new multiband molecular conductor: [BDTA][Ni(dmit)(2)](2). Chemical Communications, 3204-3206. https://doi.org/10.1039/b502783g
• Staniland, S., Fujita, W., Umezono, Y., Awaga, K., Camp, P., Clark, S., & Robertson, N. (2005). [BDTA](2)[Cu(mnt)(2)]: An almost perfect one-dimensional magnetic material. Inorganic Chemistry, 44(3), 546-551. https://doi.org/10.1021/ic04879%2B
• Clark, S., Segall, M., Pickard, C., Hasnip, P., Probert, M., Refson, K., & Payne, M. (2005). First principles methods using CASTEP. Zeitschrift für Kristallographie - Crystalline Materials, 220(5-6), 567-570. https://doi.org/10.1524/zkri.220.5.567.65075
• Chen, C., Lee, M., & Clark, S. (2004). Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field. Nanotechnology, 15(12), 1837-1843. https://doi.org/10.1088/0957-4484/15/12/025
• Zheng, G., Clark, S., Brand, S., & Abram, R. (2004). First-principles studies of the structural and electronic properties of poly-para-phenylene vinylene. Journal of Physics: Condensed Matter, 16(47), 8609-8620. https://doi.org/10.1088/0953-8984/16/47/013
• Wang, X., Clark, S., & Abram, R. (2004). Ab initio calculations of the structural and electronic properties of HgmTen clusters. Physical review B - Condensed Matter and Materials Physics, 70(23), https://doi.org/10.1103/physrevb.70.235328
• Cheung, D., Clark, S., & Wilson, M. (2004). Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation. The Journal of Chemical Physics, 121(18), 9131-9139. https://doi.org/10.1063/1.1802231
• Tulip, P., & Clark, S. (2004). Dielectric and vibrational properties of amino acids. The Journal of Chemical Physics, 121(11), 5201-5210. https://doi.org/10.1063/1.1781615
• Timon, V., Brand, S., Clark, S., & Abram, R. (2004). Ab initio studies of strained wurtzite GaN surfaces. Journal of Physics: Condensed Matter, 16(4), 531-542. https://doi.org/10.1088/0953-8984/16/4/002
• Chen, C., Lee, M., & Clark, S. (2004). Gas molecule effects on field emission properties of single-walled carbon nanotube. Diamond and Related Materials, 13(4-8), 1306-1313. https://doi.org/10.1016/j.diamond.2003.11.081
• Clark, S., & Rushton, P. (2004). Investigation on exchange and correlation holes in a strongly confined electron gas. Journal of Physics: Condensed Matter, 16(28), 4833-4844. https://doi.org/10.1088/0953-8984/16/28/006
• Smith, C., Smith, P., Thomas, R., Robins, E., Collings, J., Dai, C., Scott, A., Borwick, S., Batsanov, A., Watt, S., Clark, S., Viney, C., Howard, J., Clegg, W., & Marder, T. (2004). Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans. Journal of materials chemistry, 14(3), 413-420. https://doi.org/10.1039/b314094f
• Chen, C., Lee, M., & Clark, S. (2004). Field penetration induced charge redistribution effects on the field emission properties of carbon nanotubes - a first-principle study. Applied Surface Science, 228(1-4), 143-150. https://doi.org/10.1016/j.apsusc.2004.01.004
• Allan, D., Clark, S., Dawson, A., McGregor, P., & Parsons, S. (2002). Pressure-induced polymorphism in phenol. Acta crystallographica. Section B, Structural science, 58(Part 6), 1018-1024. https://doi.org/10.1107/s0108768102018797
• Collings, J., Roscoe, K., Robins, E., Batsanov, A., Stimson, L., Howard, J., Clark, S., & Marder, T. (2002). Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons. New Journal of Chemistry, 26(12), 1740-1746. https://doi.org/10.1039/b207102a
• Cheung, D., Clark, S., & Wilson, M. (2002). Parametrization and validation of a force field for liquid-crystal forming molecules. Physical review E: Statistical physics, plasmas, fluids, and related interdisciplinary topics, 65(5, Part 1), Article 051709. https://doi.org/10.1103/physreve.65.051709
• Cheung, D., Clark, S., & Wilson, M. (2002). Calculation of the rotational viscosity of a nematic liquid crystal. Chemical Physics Letters, 356(1-2), 140-146. https://doi.org/10.1016/s0009-2614%2802%2900380-9
• Segall, M., Lindan, P., Probert, M., Pickard, C., Hasnip, P., Clark, S., & Payne, M. (2002). First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics: Condensed Matter, 14(11), 2717-2744. https://doi.org/10.1088/0953-8984/14/11/301
• Allan, D., Clark, S., Dawson, A., McGregor, P., & Parsons, S. (2002). Comparison of the high-pressure and low-temperature structures of sulfuric acid. Journal of the Chemical Society. Dalton transactions (2001. Online), 1867-1871. https://doi.org/10.1039/b109395a
• Rushton, P., Tozer, D., & Clark, S. (2002). Nonlocal density-functional description of exchange and correlation in silicon. Physical review B, 65(23), Article 235203. https://doi.org/10.1103/physrevb.65.235203
• Rushton, P., Tozer, D., & Clark, S. (2002). Description of exchange and correlation in the strongly inhomogeneous electron gas using a nonlocal density functional. Physical review B, 65(19), Article 193106. https://doi.org/10.1103/physrevb.65.193106
• Bloor, D., Kagawa, Y., Szablewski, M., Ravi, M., Clark, S., Cross, G., Palsson, L.-O., Beeby, A., Parmer, C., & Rumbles, G. (2001). Matrix dependence of light emission from TCNQ adducts. Journal of materials chemistry, 11(12), 3053-3062. https://doi.org/10.1039/b104992p
• Ackland, G., & Clark, S. (2001). Ab initio molecular dynamics of liquid carbon disulphide. Molecular Physics, 99(10), 855-863. https://doi.org/10.1080/00268970010018413
• Rushton, P., Clark, S., & Tozer, D. (2001). Density-functional calculations of semiconductor properties using a semiempirical exchange-correlation functional. Physical Review B, 63(11), Article 115206. https://doi.org/10.1103/physrevb.63.115206
• Al-Allak, H., & Clark, S. (2001). Valence-band offset of the lattice-matched beta-FeSi2(100)/Si(001) heterostructure. Physical Review B (Condensed Matter), 63(3), Article 033311. https://doi.org/10.1103/physrevb.63.033311
• Al-Allak, H., & Clark, S. (2001). Valence-band offset of the lattice-matched beta-FeSi(2)(100)/Si(001) heterostructure. Physical Review B (Condensed Matter), 63(3), Article 033311
• Cronin, L., Clark, S., Parsons, S., Nakamura, T., & Robertson, N. (2001). Unique structural topologies involving metal-metal and metal-sulfur interactions: salts of [Ni(C3S5)(2)](x-) with cis-anti-cis-dicyclohexyl-18-crown-6 complexed counter ions. Journal of the Chemical Society. Dalton transactions (2001. Online), 1347-1351. https://doi.org/10.1039/b008299f
• King, E., Clark, S., Verdozzi, C., & Ackland, G. (2001). Interaction between metallic p orbitals and the pi orbitals of organic molecules: The binding between ethylene and aluminum. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 105(3), 641-645. https://doi.org/10.1021/jp0012810
• Allan, D., Clark, S., Parsons, S., & Ruf, M. (2000). A high-pressure structural study of propionic acid and the application of CCD detectors in high-pressure single-crystal x-ray diffraction. Journal of Physics: Condensed Matter, 12(39), L613-L620. https://doi.org/10.1088/0953-8984/12/39/101
• Clark, A., & Clark, S. (2000). Rolling-horizon lot-sizing when set-up times are sequence-dependent. International Journal of Production Research, 38(10), 2287-2307. https://doi.org/10.1080/00207540050028106
• Clark, S., Markwick, P., Ackland, G., & Crain, J. (2000). Short-time reorientational processes in molecular fluids. European Physical Society Letters, 49(1), 34-40. https://doi.org/10.1209/epl/i2000-00116-1
• Allan, D., Clark, S., Ibberson, R., Parsons, S., Pulham, C., & Sawyer, L. (1999). The influence of pressure and temperature on the crystal structure of acetone. Chemical Communications, 751-752. https://doi.org/10.1039/a900558g
• Allan, D., & Clark, S. (1999). Comparison of the high-pressure and low-temperature structures of ethanol and acetic acid. Physical review B, 60(9), 6328-6334. https://doi.org/10.1103/physrevb.60.6328
• Allan, D., & Clark, S. (1999). Impeded dimer formation in the high-pressure crystal structure of formic acid. Physical Review Letters, 82(17), 3464-3467. https://doi.org/10.1103/physrevlett.82.3464
• Allan, D., Clark, S., Brugmans, M., Ackland, G., & Vos, W. (1998). Structure of crystalline methanol at high pressure. Physical Review B (Condensed Matter), 58(18), 11809-11812
• Adam, C., Clark, S., Wilson, M., Ackland, G., & Crain, J. (1998). Transferability of first principles derived torsional potentials for mesogenic molecules and fragments. Molecular Physics, 93(6), 947-954. https://doi.org/10.1080/002689798168646
• Clark, S., Ackland, G., & Crain, J. (1998). Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB. European Physical Society Letters, 44(5), 578-584. https://doi.org/10.1209/epl/i1998-00512-5
• Kelsey, A., Ackland, G., & Clark, S. (1998). Stability and electronic structure of the cinnabar phase in GaAs. Physical review B, 57(4), R2029-R2032. https://doi.org/10.1103/physrevb.57.r2029
• Allan, D., Kelsey, A., Clark, S., Angel, R., & Ackland, G. (1998). High-pressure semiconductor-semimetal transition in TiS2. Physical review B, 57(9), 5106-5110. https://doi.org/10.1103/physrevb.57.5106
• Hsueh, H., Chen, R., Vass, H., Clark, S., Ackland, G., Poon, W., & Crain, J. (1998). Compression mechanisms in quasimolecular XI(3) (X = As, Sb, Bi) solids. Physical review B, 58(22), 14812-14822. https://doi.org/10.1103/physrevb.58.14812
• Clark, S., Al-Allak, H., Brand, S., & Abram, R. (1998). Structure and electronic properties of FeSi2. Physical review B, 58(16), 10389-10393. https://doi.org/10.1103/physrevb.58.10389
• Warren, M., Ackland, G., Karki, B., & Clark, S. (1998). Phase transitions in silicate perovskites from first principles. Mineralogical Magazine, 62(5), 585-598. https://doi.org/10.1180/002646198547981
• Karki, B., Stixrude, L., Clark, S., Warren, M., Ackland, G., & Crain, J. (1997). Structure and elasticity of MgO at high pressure. American Mineralogist, 82(1-2), 51-60
• Clark, S., Crain, J., & Ackland, G. (1997). Comparison of bonding in amorphous silicon and carbon. Physical review B, 55(21), 14059-14062. https://doi.org/10.1103/physrevb.55.14059
• Ackland, G., Warren, M., & Clark, S. (1997). Practical methods in ab initio lattice dynamics. Journal of Physics: Condensed Matter, 9(37), 7861-7872. https://doi.org/10.1088/0953-8984/9/37/017
• Clark, S., Adam, C., Hsueh, H., Pu, F., & Crain, J. (1997). Vibrational properties of liquid crystal molecules from ab initio computer simulation. Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 302, 433-438. https://doi.org/10.1080/10587259708041859
• Clark, S., & Ackland, G. (1997). Ab initio calculations of the self-interstitial in silicon. Physical review B, 56(1), 47-50. https://doi.org/10.1103/physrevb.56.47
• Hsueh, H., Vass, H., Pu, F., Clark, S., Poon, C., & Crain, J. (1997). Low-frequency dynamics of liquid crystals. European Physical Society Letters, 38(2), 107-112. https://doi.org/10.1209/epl/i1997-00209-3
• Karki, B., Clark, S., Warren, M., Hsueh, H., Ackland, G., & Crain, J. (1997). Ab initio elasticity and lattice dynamics of AgGaSe2. Journal of Physics: Condensed Matter, 9(2), 375-380. https://doi.org/10.1088/0953-8984/9/2/005
• Karki, B., Stixrude, L., Clark, S., Warren, M., Ackland, G., & Crain, J. (1997). Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures. American Mineralogist, 82(5-6), 635-638
• Clark, S., Adam, C., Ackland, G., & Crain, J. (1997). Conformation energy surface for liquid crystal molecules from first principles: Application to 5CB. Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 299, 39-\&. https://doi.org/10.1080/10587259708041971
• Adam, C., Clark, S., Ackland, G., & Crain, J. (1997). Conformation-dependent dipoles of liquid crystal molecules and fragments from first principles. Physical review E: Statistical physics, plasmas, fluids, and related interdisciplinary topics, 55(5, Part a), 5641-5649. https://doi.org/10.1103/physreve.55.5641
• Clark, S., Adam, C., Ackland, G., White, J., & Crain, J. (1997). Properties of liquid crystal molecules from first principles computer simulation. Liquid Crystals, 22(4), 469-475. https://doi.org/10.1080/026782997209199
• Clark, S., Adam, C., Cleaver, D., & Crain, J. (1997). Conformational energy landscapes of liquid crystal molecules. Liquid Crystals, 22(4), 477-482. https://doi.org/10.1080/026782997209207
• Freed, G., Katz, S., & Clark, S. (1996). Safety of vaccinations - Miss America, the media, and public health. Journal of the American Medical Association, 276(23), 1869-1872. https://doi.org/10.1001/jama.276.23.1869
• Hsueh, H., Warren, M., Vass, H., Ackland, G., Clark, S., & Crain, J. (1996). Vibrational properties of the layered semiconductor germanium sulfide under hydrostatic pressure: Theory and experiment. Physical review B, 53(22), 14806-14817. https://doi.org/10.1103/physrevb.53.14806
• Hsueh, H., Maclean, J., Guo, G., Lee, M., Clark, S., Ackland, G., & Crain, J. (1995). PRESSURE-INDUCED POLYMORPHISM IN CUCL - AN AB-INITIO STUDY. Physical review B, 51(18), 12216-12222. https://doi.org/10.1103/physrevb.51.12216
• Clark, S., Ackland, G., & Crain, J. (1995). Theoretical stability limit of diamond at ultrahigh pressure. Physical review B, 52(21), 15035-15038. https://doi.org/10.1103/physrevb.52.15035
• Hsueh, H., Vass, H., Clark, S., & Crain, J. (1995). BREAKDOWN OF RIGID-UNIT VIBRATIONS IN LAYERED SEMICONDUCTORS UNDER PRESSURE - APPLICATION TO GERMANIUM SULFIDE (VOL 31, PG 151, 1995). European Physical Society Letters, 31(8), https://doi.org/10.1209/0295-5075/31/8/c01
• Clark, S., Ackland, G., & Akbarzadeh, H. (1995). A THEORETICAL-STUDY OF PRESSURE EFFECTS ON SELENIUM-I. Journal of Physics and Chemistry of Solids, 56(3-4), 329-334. https://doi.org/10.1016/0022-3697%2894%2900202-9
• Crain, J., Ackland, G., Piltz, R., Hatton, P., & Clark, S. (1995). DENSE TETRAHEDRAL STRUCTURES OF COMPOUND SEMICONDUCTOR. Journal of Physics and Chemistry of Solids, 56(3-4), 495-500. https://doi.org/10.1016/0022-3697%2894%2900230-4
• Hsueh, H., Vass, H., Clark, S., Ackland, G., & Crain, J. (1995). HIGH-PRESSURE EFFECTS IN THE LAYERED SEMICONDUCTOR GERMANIUM SELENIDE. Physical review B, 51(23), 16750-16760. https://doi.org/10.1103/physrevb.51.16750
• Piltz, R., Maclean, J., Clark, S., Ackland, G., Hatton, P., & Crain, J. (1995). Structure and properties of silicon XII: A complex tetrahedrally bonded phase. Physical Review B (Condensed Matter), 52(6), 4072-4085. https://doi.org/10.1103/physrevb.52.4072
• Crain, J., Ackland, G., & Clark, S. (1995). EXOTIC STRUCTURES OF TETRAHEDRAL SEMICONDUCTORS. Reports on Progress in Physics, 58(7), 705-754. https://doi.org/10.1088/0034-4885/58/7/001
• Hsueh, H., Vass, H., Clark, S., & Crain, J. (1995). Breakdown of Rigid-Unit Vibrations in Layered Semiconductors under Pressure: Application to Germanium Sulfide. European Physical Society Letters, 31(3), 151-155. https://doi.org/10.1209/0295-5075/31/3/005
• Clark, S., Ackland, G., Crain, J., & Payne, M. (1994). VERY-LOW ENERGY SURFACE OF SILICON. Physical review B, 50(8), 5728-5731. https://doi.org/10.1103/physrevb.50.5728
• Crain, J., Piltz, R., Ackland, G., Clark, S., Payne, M., Milman, V., Lin, J., Hatton, P., & Nam, Y. (1994). Tetrahedral structures and phase transitions in III-V semiconductors. Physical Review B (Condensed Matter), 50(12), 8389-8401. https://doi.org/10.1103/physrevb.50.8389
• Crain, J., Clark, S., Ackland, G., Payne, M., Milman, V., Hatton, P., & Reid, B. (1994). Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment. Physical Review B (Condensed Matter), 49(8), 5329-5340. https://doi.org/10.1103/physrevb.49.5329
• Clark, S., Ackland, G., & Crain, J. (1994). Theoretical study of high-density phases of covalent semiconductors. II. Empirical treatment. Physical Review B (Condensed Matter), 49(8), 5341-5352. https://doi.org/10.1103/physrevb.49.5341
• Clark, S., & Ackland, G. (1993). VIBRATIONAL AND ELASTIC EFFECTS OF POINT-DEFECTS IN SILICON. Physical review B, 48(15), 10899-10908. https://doi.org/10.1103/physrevb.48.10899
• Akbarzadeh, H., Clark, S., & Ackland, G. (1993). A THEORETICAL-STUDY OF SELENIUM-I UNDER HIGH-PRESSURE. Journal of Physics: Condensed Matter, 5(43), 8065-8074. https://doi.org/10.1088/0953-8984/5/43/018
• Clark, S. (1985). THE EFFECTS OF GOVERNMENT EXPENDITURE ON THE TERM STRUCTURE OF INTEREST-RATES - COMMENT. Journal of Money, Credit and Banking, 17(3), 397-400. https://doi.org/10.2307/1992635