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
Hartree-Fock and Gordon-Kim interaction potentials for scattering of closed-shell molecules by atoms: (H₂CO,He) and (H₂,Li ⁺)
- - Sheldon Green
  - Barbara J. Garrison
  - et al.
- 2008
- The Journal of Chemical Physics
A theory of the hard sphere solid. II
- - J.A. Barker
  - H.M. Gladney
- 2008
- The Journal of Chemical Physics
A Hartree-Fock interaction potential between a rigid asymmetric top and a spherical atom: (H₂CO,He)
- - Barbara J. Garrison
  - William A. Lester Jr.
  - et al.
- 2008
- The Journal of Chemical Physics
Ornstein-Zernike equation for the direct correlation function with a Yukawa tail
- - Douglas Henderson
  - George Stell
  - et al.
- 2008
- The Journal of Chemical Physics
Auger analysis of thin oxide films on Pb-In alloys
- - N.J. Chou
  - S.K. Lahiri
  - et al.
- 2008
- The Journal of Chemical Physics