Thomas F. Miller III
Orcid: 0000-0002-1882-5380
According to our database1,
Thomas F. Miller III
authored at least 14 papers
between 2019 and 2023.
Collaborative distances:
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Bibliography
2023
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.
Int. J. High Perform. Comput. Appl., 2023
2022
Dynamic-Backbone Protein-Ligand Structure Prediction with Multiscale Generative Diffusion Models.
CoRR, 2022
Molecular-orbital-based Machine Learning for Open-shell and Multi-reference Systems with Kernel Addition Gaussian Process Regression.
CoRR, 2022
Molecular Dipole Moment Learning via Rotationally Equivariant Gaussian Process Regression with Derivatives in Molecular-orbital-based Machine Learning.
CoRR, 2022
Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space.
CoRR, 2022
2021
Molecular Energy Learning Using Alternative Blackbox Matrix-Matrix Multiplication Algorithm for Exact Gaussian Process.
CoRR, 2021
UNiTE: Unitary N-body Tensor Equivariant Network with Applications to Quantum Chemistry.
CoRR, 2021
2020
Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces.
CoRR, 2020
CoRR, 2020
OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features.
CoRR, 2020
2019
Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning.
CoRR, 2019
A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules.
CoRR, 2019