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
Publications
Date
Featured collections
Popular topics
954 results at The Journal of Chemical Physics
Molecular rotations trigger a glass-to-plastic fcc heterogeneous crystallization in high-pressure water
- 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
Studies of excited state charge-transfer interactions with picosecond laser pulses
- T.J. Chuang
- K.B. Eisenthal
- 2008
- The Journal of Chemical Physics
Study of the structure of molecular complexes. IX. The Hartree-Fock energy surface for the H2O-Li-F complex
- James W. Kress
- E. Clementi
- et al.
- 2008
- The Journal of Chemical Physics
Study of the structure of molecular complexes. XII. Structure of liquid water obtained by Monte Carlo simulation with the Hartree-Fock potential corrected by inclusion of dispersion forces
- G.C. Lie
- E. Clementi
- 2008
- The Journal of Chemical Physics
Generalization of Slater's transition state concept
- Arthur R. Williams
- Robert A. DeGroot
- et al.
- 2008
- The Journal of Chemical Physics
On the structure of a free surface of a Lennard-Jones liquid: A Monte Carlo calculation
- Farid F. Abraham
- Donald E. Schreiber
- et al.
- 2008
- The Journal of Chemical Physics