activity
20212026
most citedAccelerating Material Property Prediction using Generically Complete Isometry Invariants

11 citations · 54 across the 16 of their papers we have counts for

collaborators
Showing math.OCShow all

1 paper · 1 filter

math.OC2022

Entropic trust region for densest crystallographic symmetry group packings

Miloslav Torda, John Y. Goulermas, Roland Púček +1

Molecular crystal structure prediction (CSP) seeks the most stable periodic structure given the chemical composition of a molecule and pressure-temperature conditions. Modern CSP s…