7 citations · 7 across the 2 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2026
General Symmetry-Based Potential Energy Surface Grid Reduction in Normal Coordinates
Can Liao, Markus Reiher
The construction of a grid-based potential energy surface (PES) can be prohibitively expensive as the number of grid points grows exponentially with molecular size. Molecular symme…
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…