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cond-mat.mtrl-sci2022★ 21 cited
PyQMC: an all-Python real-space quantum Monte Carlo module in PySCF
William A. Wheeler, Shivesh Pathak, Kevin Kleiner +11
We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern…
cs.LG2022★ 1 cited
MeshDQN: A Deep Reinforcement Learning Framework for Improving Meshes in Computational Fluid Dynamics
Cooper Lorsung, Amir Barati Farimani
Meshing is a critical, but user-intensive process necessary for stable and accurate simulations in computational fluid dynamics (CFD). Mesh generation is often a bottleneck in CFD…