3 citations · 3 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2024
Accelerating computational materials discovery with artificial intelligence and cloud high-performance computing: from large-scale screening to experimental validation
Chi Chen, Dan Thien Nguyen, Shannon J. Lee +8
High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and…
cond-mat.mtrl-sci2023★ 3 cited
Overcoming the Size Limit of First Principles Molecular Dynamics Simulations with an In-Distribution Substructure Embedding Active Learner
Lingyu Kong, Jielan Li, Lixin Sun +7
Large-scale first principles molecular dynamics are crucial for simulating complex processes in chemical, biomedical, and materials sciences. However, the unfavorable time complexi…