2018
Structure and hydrogen bonding at the limits of liquid water stability
Flaviu Cipcigan, Vlad Sokhan, Glenn Martyna, Jason Crain
Scientific Reports 8(1), Springer Nature, 2018
Flaviu Cipcigan, Vlad Sokhan, Glenn Martyna, Jason Crain
Scientific Reports 8(1), Springer Nature, 2018
2017
High-response piezoelectricity modeled quantitatively near a phase boundary
Dennis M Newns, Marcelo A Kuroda, Flaviu S Cipcigan, Jason Crain, Glenn J Martyna
Applied Physics Letters 110(2), 022904, AIP Publishing, 2017
Dennis M Newns, Marcelo A Kuroda, Flaviu S Cipcigan, Jason Crain, Glenn J Martyna
Applied Physics Letters 110(2), 022904, AIP Publishing, 2017
2016
Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed
F Cipcigan, VP Sokhan, J Crain, GJ Martyna
Journal of Computational Physics326, 222--233, 2016
F Cipcigan, VP Sokhan, J Crain, GJ Martyna
Journal of Computational Physics326, 222--233, 2016
2015
Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids
VP Sokhan, A Jones, FS Cipcigan, J Crain, GJ Martyna
Physical Review Letters 115(11), 117801, American Physical Society, 2015
VP Sokhan, A Jones, FS Cipcigan, J Crain, GJ Martyna
Physical Review Letters 115(11), 117801, American Physical Society, 2015
Hydrogen bonding and molecular orientation at the liquid--vapour interface of water
FS Cipcigan, VP Sokhan, AP Jones, J Crain, GJ Martyna
Physical Chemistry Chemical Physics 17(14), 8660--8669, 2015
FS Cipcigan, VP Sokhan, AP Jones, J Crain, GJ Martyna
Physical Chemistry Chemical Physics 17(14), 8660--8669, 2015
Signature properties of water: Their molecular electronic origins
Vlad P Sokhan, Andrew P Jones, Flaviu S Cipcigan, Jason Crain, Glenn J Martyna
Proceedings of the National Academy of Sciences 112(20), 6341--6346, 2015
Vlad P Sokhan, Andrew P Jones, Flaviu S Cipcigan, Jason Crain, Glenn J Martyna
Proceedings of the National Academy of Sciences 112(20), 6341--6346, 2015
2013
Electronically coarse-grained model for water
A Jones, F Cipcigan, VP Sokhan, J Crain, GJ Martyna
Physical Review Letters 110(22), 227801, American Physical Society, 2013
A Jones, F Cipcigan, VP Sokhan, J Crain, GJ Martyna
Physical Review Letters 110(22), 227801, American Physical Society, 2013
Electronically coarse-grained molecular dynamics using quantum Drude oscillators
AP Jones, J Crain, FS Cipcigan, VP Sokhan, M Modani, GJ Martyna
Molecular Physics 111(22-23), 3465--3477, 2013
AP Jones, J Crain, FS Cipcigan, VP Sokhan, M Modani, GJ Martyna
Molecular Physics 111(22-23), 3465--3477, 2013