Publications

954 results at The Journal of Chemical Physics

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
Molecular rotations trigger a glass-to-plastic fcc heterogeneous crystallization in high-pressure water
- - Malgorzata Zimon
  - Fausto Martelli
- 2023
- The Journal of Chemical Physics
Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII
- - Alberto Toffano
  - John Russo
  - et al.
- 2022
- The Journal of Chemical Physics
Signatures of sluggish dynamics and local structural ordering during ice nucleation
- - Fausto Martelli
  - Jeremy Palmer
- 2022
- The Journal of Chemical Physics
TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
- - Stefan Seritan
  - Christoph Bannwarth
  - et al.
- 2020
- The Journal of Chemical Physics
Diffusion theory for crystal growth at arbitrary solute concentration
- - H. Müller-Krumbhaar
- 2008
- The Journal of Chemical Physics
Direct correlation function: Hard sphere fluid
- - Douglas Henderson
  - E.W. Grundke
- 2008
- The Journal of Chemical Physics
The activated, dissociative chemisorption of methane on tungsten
- - Harold F. Winters
- 2008
- The Journal of Chemical Physics
Study 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
Effect of electron correlation on the H₂CO-He interaction potential
- - Barbara J. Garrison
  - William A. Lester Jr.
  - et al.
- 2008
- The Journal of Chemical Physics