7 citations · 11 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2025★ 7 cited
Numerically Exact Configuration Interaction at Quadrillion-Determinant Scale
Agam Shayit, Can Liao, Shiv Upadhyay +5
The combinatorial scaling of configuration interaction (CI) has long restricted its applicability to only the simplest molecular systems. Here, we report the first numerically exac…
physics.chem-ph2025★ 4 cited
Foundation Models for Atomistic Simulation of Chemistry and Materials
Eric C. -Y. Yuan, Yunsheng Liu, Junmin Chen +11
Given the power of large language and large vision models, it is of profound and fundamental interest to ask if a foundational model based on data and parameter scaling laws and pr…
physics.chem-ph2024
Quantum Chemical Density Matrix Renormalization Group Method Boosted by Machine Learning
Pavlo Golub, Chao Yang, Vojtěch Vlček +1
Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost.…