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• The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm-Dancoff approximation
  2022 · 10 citations
• Foundation Models for Atomistic Simulation of Chemistry and Materials
  2025 · 4 citations
• Say NO to Optimization: A Non-Orthogonal Quantum Eigensolver
  2022 · 3 citations
• Programmable Simulations of Molecules and Materials with Reconfigurable Quantum Processors
  2023 · 3 citations
• A Multi-Resolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography
  2019 · 2 citations
• Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers
  2025 · 1 citations
• Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning
  2023 · 1 citations