Jason Crain
Affiliations: | University of Edinburgh, Edinburgh, Scotland, United Kingdom |
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| Crain J, Clark SJ, Ackland GJ, et al. (2019) Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment. Physical Review. B, Condensed Matter. 49: 5329-5340 |
| Newns DM, Kuroda MA, Cipcigan FS, et al. (2017) High-response piezoelectricity modeled quantitatively near a phase boundary Applied Physics Letters. 110: 22904 |
| Cipcigan FS, Sokhan VP, Crain J, et al. (2016) Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed Journal of Computational Physics. 326: 222-233 |
| Sokhan VP, Jones AP, Cipcigan FS, et al. (2015) Signature properties of water: Their molecular electronic origins. Proceedings of the National Academy of Sciences of the United States of America. 112: 6341-6 |
| Cipcigan FS, Sokhan VP, Jones AP, et al. (2015) Hydrogen bonding and molecular orientation at the liquid-vapour interface of water. Physical Chemistry Chemical Physics : Pccp. 17: 8660-9 |
| Jones A, Cipcigan F, Sokhan VP, et al. (2013) Electronically coarse-grained model for water. Physical Review Letters. 110: 227801 |
| Jones AP, Crain J, Sokhan VP, et al. (2013) Quantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation Physical Review B - Condensed Matter and Materials Physics. 87 |
| Dougan L, Crain J, Finney JL, et al. (2010) Molecular self-assembly in a model amphiphile system. Physical Chemistry Chemical Physics : Pccp. 12: 10221-9 |
| Troitzsch RZ, Tulip PR, Crain J, et al. (2008) A simplified model of local structure in aqueous proline amino acid revealed by first-principles molecular dynamics simulations. Biophysical Journal. 95: 5014-20 |
| Troitzsch RZ, Vass H, Hossack WJ, et al. (2008) Molecular mechanisms of cryoprotection in aqueous proline: light scattering and molecular dynamics simulations. The Journal of Physical Chemistry. B. 112: 4290-7 |