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
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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
Generalization of Slater's transition state concept
- Arthur R. Williams
- Robert A. DeGroot
- et al.
- 2008
- The Journal of Chemical Physics
SCF ab-initio ground state energy surfaces for CO2 and CO 2
- J. Pacansky
- U. Wahlgren
- 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
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