Article

Cipcigan, F S*; Sokhan, V P; Crain, J; Martyna, G J* (2016) Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed. J. Comput. Phys., 326. pp. 222-233.

Cipcigan, F S*; Sokhan, V P; Jones, A P; Crain, J; Martyna, G J* (2015) Hydrogen bonding and molecular orientation at the liquid-vapour interface of water. Phys. Chem. Chem. Phys., 17 (14). pp. 8660-8669.

Sokhan, V P; Jones, A*; Cipcigan, F S*; Crain, J; Martyna, G J* (2015) Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids. Phys. Rev. Lett., 115 (11). 117801

Sokhan, V P; Jones, A P*; Cipcigan, F S*; Crain, J; Martyna, G J* (2015) Signature properties of water: their molecular electronic origins. Proc. Natl. Acad. Sci. USA, 112 (20). pp. 6341-6346.

Jones, A; Cipcigan, F*; Sokhan, V P; Crain, J; Martyna, G J* (2013) Electronically coarse-grained model for water. Phys. Rev. Lett., 110 (22). 227801

Jones, A P*; Craine, J*; Sokhan, V P; Whitfield, T W*; Martyna, G J* (2013) Quantum Drude oscillator model of atoms and molecules: many-body polarization and dispersion interactions for atomistic simulation. Phys. Rev. B, 87 (14). 144103

Sokhan, V P; Quirke, N* (2008) Slip coefficient in nanoscale pore flow. Phys. Rev. E, 78 (1). 015301