Thomas F. Miller

California Institute of Technology — United States

Physics and Astronomy · Physical Sciences

52h-index9.1kcitations275works19.32yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(52), Advanced Chemical Physics Studies(50), RNA and protein synthesis mechanisms(32), Machine Learning in Materials Science(30), Quantum, superfluid, helium dynamics(29)

Publications275 total

BRIDGE: a multi-stakeholder workstream focused on assessing new clinical endpoints in ophthalmology clinical trials [Building Research Innovations and Developing Global Endpoints]
Eye·2025Open Access
Continuum limit of dendritic deposition
Physical review. E·2025
Plain-language commentary: 2-year findings from the FIREFLEYE next study looking at how well aflibercept injected into affected eyes in babies with retinopathy of prematurity works and how safe it is compared with laser treatment
Therapeutic Advances in Ophthalmology·2025Open Access
The Rapidly Evolving Regenerative Medicine Ecosystem: Implications for Infants and Children
2025
NeuralPLexer3: Accurate Biomolecular Complex Structure Prediction with Flow Models
arXiv (Cornell University)·2024· 8 citedOpen Access
Intravitreal Aflibercept vs Laser Therapy for Retinopathy of Prematurity
JAMA Network Open·2024· 19 citedOpen Access
Publication Recommendations to Report Laboratory Data of Neonates – a Modified Delphi Approach
Pediatric Research·2024· 2 citedOpen Access
State-specific protein–ligand complex structure prediction with a multiscale deep generative model
Nature Machine Intelligence·2024· 125 cited
NeuralPLexer evaluation datasets and predictions.
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
NeuralPLexer evaluation datasets and predictions.
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
NeuralPLexer evaluation datasets and predictions.
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Exploring PROTAC Cooperativity with Coarse-Grained Alchemical Methods
The Journal of Physical Chemistry B·2023· 15 citedOpen Access
Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression
The Journal of Chemical Physics·2022· 12 citedOpen Access
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
The International Journal of High Performance Computing Applications·2022· 87 citedOpen Access
State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
arXiv (Cornell University)·2022· 25 citedOpen Access
Solution-Phase Conformational/Vibrational Anharmonicity in Comonomer Incorporation Polyolefin Catalysis
The Journal of Physical Chemistry A·2022
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning
The Journal of Chemical Physics·2022· 4 citedOpen Access
Exploring PROTAC cooperativity with coarse-grained alchemical methods
arXiv (Cornell University)·2022Open Access
Informing geometric deep learning with electronic interactions to accelerate quantum chemistry
Proceedings of the National Academy of Sciences·2022· 83 citedOpen Access
Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space
Journal of Chemical Theory and Computation·2022· 24 citedOpen Access
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Frequent Co-authors

Frederick R. Manby(10), Michael A. Webb(7), Matthew Welborn(7), Jason D. Goodpaster(5), Brett M. Savoie(4), Geoffrey W. Coates(4), Nitash P. Balsara(4), David E. Manolopoulos(3), Lixue Cheng(3), Nandini Ananth(3), Taylor Barnes(3), Zhuoran Qiao(3), Anima Anandkumar(3), Danielle M. Pesko(3), Anders S. Christensen(3), Martina Stella(2), Jakub W. Kamiński(2), Zhen‐Gang Wang(2), Artur R. Menzeleev(2), Qi Zheng(2)