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
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
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
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
Reflection spectrum of the first singlet transition of crystalline anthracene at low temperatures
- J.M. Turlet
- M.R. Philpott
- 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
Ambiguities in the interpretation of proton magnetic relaxation data in water solutions of Gd3+ ions
- Seymour H. Koenig
- Michael Epstein
- 2008
- 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