71 citations · 86 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2024
MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures
Han Yang, Chenxi Hu, Yichi Zhou +19
Accurate and fast prediction of materials properties is central to the digital transformation of materials design. However, the vast design space and diverse operating conditions p…
cond-mat.mtrl-sci2024★ 71 cited
MatterGen: a generative model for inorganic materials design
Claudio Zeni, Robert Pinsler, Daniel Zügner +18
The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative mo…
physics.chem-ph2023★ 15 cited
MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design
Xiang Fu, Tian Xie, Andrew S. Rosen +2
Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry. Their modula…