1 citations · 1 across the 2 of their papers we have counts for
2 papers
cs.LG2026
Implementations of Quantum and Classical Topology-Aligned Architectures for Molecular Property Prediction
James T. Pegg, Hubert Okadome Valencia, Ronin Wu
For low-data and resource-constrained regimes typical of quantum chemistry, parameter-efficient learning is a key objective. Here, we propose a topology-aligned inductive bias in w…
physics.chem-ph2023★ 1 cited
Massively parallel quantum chemistry: PFAS on over 1 million cloud vCPUs
Alan E. Rask, Lee Huntington, SungYeon Kim +16
Accurate solutions to the electronic Schrödinger equation can provide valuable insight for electron interactions within molecular systems, accelerating the molecular design and dis…