10 citations · 26 across the 8 of their papers we have counts for
Showing 2025Show all
2 papers · 1 filter
cs.LG2025★ 1 cited
OXtal: An All-Atom Diffusion Model for Organic Crystal Structure Prediction
Emily Jin, Andrei Cristian Nica, Mikhail Galkin +8
Accurately predicting experimentally realizable 3D molecular crystal structures from their 2D chemical graphs is a long-standing open challenge in computational chemistry called cr…
cond-mat.mtrl-sci2025★ 1 cited
Energy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials
Santiago Miret, Kin Long Kelvin Lee, Carmelo Gonzales +2
Universal Machine Learning Interactomic Potentials (MLIPs) enable accelerated simulations for materials discovery. However, current research efforts fail to impactfully utilize MLI…