Côme Cattin
3
Documents
Affiliations actuelles
- Sorbonne Université (SU)
- Laboratoire de chimie théorique (LCT)
Identifiants chercheurs
Site web
Publications
Publications
|
|
Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and DistillationJournal of Physical Chemistry Letters, 2026, 17 (5), pp.1288-1295. ⟨10.1021/acs.jpclett.5c03720⟩
Article dans une revue
hal-05304754
v1
|
Computational Study of Heme b 595 to Heme d Electron Transfer in E. coli Cytochrome bd -I OxidaseJournal of Chemical Information and Modeling, 2026, 66 (3), pp.1757-1768. ⟨10.1021/acs.jcim.5c02194⟩
Article dans une revue
hal-05519674
v1
|
|
|
Faster Molecular Dynamics with Neural Network Potentials via Distilled Multiple Time-Stepping and Non-Conservative Forces2026
Pré-publication, Document de travail
hal-05514212
v1
|
Chargement...
Chargement...