Newsroom

Figure-1
Figure-2
Figure-3
Figure-4
Figure-5
Figure-6
Figure-7
Figure-8
Figure-9
Figure-10
Figure-11
Figure-12
Figure-13
Figure-14
Figure-15
Figure-16
Figure-17
2017 NYU Shanghai Summer School
2017 NYU Shanghai Summer School
Figure-20

Hover the mouse over the above image to pause the slider
Move the mouse below this icon to play the slider

Newsroom



EPJ B Topical Issue: Recent progress and emerging trends in Molecular Dynamics.
Deadline for submission: March 31, 2021

2017 NYU Shanghai Summer School on Machine Learning in Molecular Sciences
June 12-16, 2017 | Shanghai, China
Link from “Synced” to an article (in Chinese)
about the school. English version here.

Report on the sixth blind test of organic crystal structure prediction methods
Acta Cryst. B72, 439 (2016)

International collaboration with Tuckerman group investigates anharmonic effects on lithium isotope fractionation using Feynman path integrals. Link to CNRS article (in French) about the work

Neural network based path collective variables for enhanced sampling of phase transformations.

Density Functionals with Quantum Chemical Accuracy: From Machine Learning to Molecular Dynamics.