High-dimensional order parameters and neural network classifiers applied to amorphous ices
- Zoe Faure-beaulieu
- Volker Deringer
- et al.
- 2024
- The Journal of Chemical Physics
Paper
Publications
954 results at The Journal of Chemical Physics
Molecular rotations trigger a glass-to-plastic fcc heterogeneous crystallization in high-pressure water
- Malgorzata Zimon
- Fausto Martelli
- 2023
- The Journal of Chemical Physics
PaperTemperature- and pressure-dependence of the hydrogen bond network in plastic ice VII
- Alberto Toffano
- John Russo
- et al.
- 2022
- The Journal of Chemical Physics
PaperSignatures of sluggish dynamics and local structural ordering during ice nucleation
- Fausto Martelli
- Jeremy Palmer
- 2022
- The Journal of Chemical Physics
PaperTeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
- Stefan Seritan
- Christoph Bannwarth
- et al.
- 2020
- The Journal of Chemical Physics
PaperPotential energy surface for the model unimolecular reaction HNC→HCN
- Peter K. Pearson
- Henry F. Schaefer III
- et al.
- 2008
- The Journal of Chemical Physics
PaperStudy of the structure of molecular complexes. X. Dipole moment surface for the lithium-fluoride-water complex
- E.R. Chan
- E. Clementi
- et al.
- 2008
- The Journal of Chemical Physics
PaperEffect of surface Plasmons on transitions in molecules
- Michael R. Philpott
- 2008
- The Journal of Chemical Physics
PaperEffect of electron correlation on the H2CO-He interaction potential
- Barbara J. Garrison
- William A. Lester Jr.
- et al.
- 2008
- The Journal of Chemical Physics
PaperDirect correlation function: Hard sphere fluid
- Douglas Henderson
- E.W. Grundke
- 2008
- The Journal of Chemical Physics
Paper