Electronic coarse graining: Predictive atomistic modeling of condensed matter
- Flaviu Cipcigan
- Jason Crain
- et al.
- 2019
- Reviews of Modern Physics
Paper
Publications
8 results for V. P. Sokhan
Structure and hydrogen bonding at the limits of liquid water stability
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2018
- Scientific Reports
PaperElectronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2016
- Journal of Computational Physics
PaperMolecular-Scale Remnants of the Liquid-Gas Transition in Supercritical Polar Fluids
- V. P. Sokhan
- A. Jones
- et al.
- 2015
- Physical Review Letters
PaperSignature properties of water: Their molecular electronic origins
- V. P. Sokhan
- A. Jones
- et al.
- 2015
- PNAS
PaperHydrogen bonding and molecular orientation at the liquid-vapour interface of water
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2015
- Physical Chemistry Chemical Physics
PaperElectronically coarse-grained model for water
- Andrew P. Jones
- F.S. Cipcigan
- et al.
- 2013
- Physical Review Letters
PaperQuantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation
- Andrew P. Jones
- Jason Crain
- et al.
- 2013
- Physical Review B - CMMP
Paper