Matthew Welborn
Matthew Welborn
Iambic Therapeutics
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Zitiert von
Zitiert von
Solid-state infrared-to-visible upconversion sensitized by colloidal nanocrystals
M Wu, DN Congreve, MWB Wilson, J Jean, N Geva, M Welborn, ...
Nature Photonics 10 (1), 31-34, 2016
Energy harvesting of non-emissive triplet excitons in tetracene by emissive PbS nanocrystals
NJ Thompson, MWB Wilson, DN Congreve, PR Brown, JM Scherer, ...
Nature materials 13 (11), 1039-1043, 2014
π-Clamp-mediated cysteine conjugation
C Zhang, M Welborn, T Zhu, NJ Yang, MS Santos, T Van Voorhis, ...
Nature Chemistry 8 (2), 120-128, 2016
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features
Z Qiao, M Welborn, A Anandkumar, FR Manby, TF Miller III
The Journal of Chemical Physics 153 (12), 124111, 2020
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
M Welborn, L Cheng, TF Miller III
Journal of Chemical Theory and Computation 14 (9), 4772-4779, 2018
Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO2 Reduction
A Chapovetsky, M Welborn, JM Luna, R Haiges, TF Miller III, ...
ACS central science 4 (3), 397-404, 2018
A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules
L Cheng, M Welborn, TF Miller III
The Journal of Chemical Physics 150, 131103, 2019
Projection-Based Wavefunction-in-DFT Embedding
SJR Lee, M Welborn, FR Manby, TF Miller III
Accounts of chemical research 52 (5), 1359-1368, 2019
MOLPRO, version 2019.2, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
Cardiff, UK, 2019
The MolSSI QCArchive project: An open‐source platform to compute, organize, and share quantum chemistry data
DGA Smith, D Altarawy, LA Burns, M Welborn, LN Naden, L Ward, S Ellis, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science, e1491, 2020
EON: software for long time simulations of atomic scale systems
ST Chill, M Welborn, R Terrell, L Zhang, JC Berthet, A Pedersen, ...
Modelling and Simulation in Materials Science and Engineering 22 (5), 055002, 2014
Bootstrap embedding: An internally consistent fragment-based method
M Welborn, T Tsuchimochi, T Van Voorhis
The Journal of Chemical Physics 145 (7), 074102, 2016
σ-SCF: A direct energy-targeting method to mean-field excited states
HZ Ye, M Welborn, ND Ricke, T Van Voorhis
The Journal of Chemical Physics 147 (21), 214104, 2017
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
AS Christensen, SK Sirumalla, Z Qiao, MB O’Connor, DGA Smith, F Ding, ...
The Journal of Chemical Physics 155 (20), 204103, 2021
Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning
L Cheng, NB Kovachki, M Welborn, TF Miller
Journal of chemical theory and computation, 2019
# COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ...
The International Journal of High Performance Computing Applications …, 2021
Density matrix embedding in an antisymmetrized geminal power bath
T Tsuchimochi, M Welborn, T Van Voorhis
The Journal of Chemical Physics 143 (2), 024107, 2015
Informing geometric deep learning with electronic interactions to accelerate quantum chemistry
Z Qiao, AS Christensen, M Welborn, FR Manby, A Anandkumar, ...
Proceedings of the National Academy of Sciences 119 (31), e2205221119, 2022
Salt Effect Accelerates Site-Selective Cysteine Bioconjugation
P Dai, C Zhang, M Welborn, JJ Shepherd, T Zhu, T Van Voorhis, ...
ACS Central Science 2 (9), 637-646, 2016
Even-handed subsystem selection in projection-based embedding
M Welborn, FR Manby, TF Miller III
The Journal of Chemical Physics 149 (14), 144101, 2018
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