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Molecular Energy Learning Using Alternative Blackbox Matrix-Matrix Multiplication Algorithm for Exact Gaussian Process., , and . CoRR, (2021)A generalized class of strongly stable and dimension-free T-RPMD integrators., , , and . CoRR, (2020)Dimension-free path-integral molecular dynamics without preconditioning., , and . CoRR, (2019)OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features., , , , and . CoRR, (2020)Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces., , , , , , , and . CoRR, (2020)#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol., , , , , , , , , and 42 other author(s). Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)UNiTE: Unitary N-body Tensor Equivariant Network with Applications to Quantum Chemistry., , , , , and . CoRR, (2021)Dynamic-Backbone Protein-Ligand Structure Prediction with Multiscale Generative Diffusion Models., , , , and . CoRR, (2022)Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space., , and . CoRR, (2022)Molecular Dipole Moment Learning via Rotationally Equivariant Gaussian Process Regression with Derivatives in Molecular-orbital-based Machine Learning., , and . CoRR, (2022)