Matthew Welborn
Matthew Welborn
Entos, Inc.
entos.ai üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
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
3262016
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
2172014
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
1692016
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
1192018
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
1132018
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
692019
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
572014
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
542020
Projection-Based Wavefunction-in-DFT Embedding
SJR Lee, M Welborn, FR Manby, TF Miller III
Accounts of chemical research 52 (5), 1359-1368, 2019
512019
Bootstrap embedding: An internally consistent fragment-based method
M Welborn, T Tsuchimochi, T Van Voorhis
The Journal of Chemical Physics 145 (7), 074102, 2016
512016
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
482015
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
442019
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
392017
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
292016
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
272020
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
272019
Even-handed subsystem selection in projection-based embedding
M Welborn, FR Manby, TF Miller III
The Journal of Chemical Physics 149 (14), 144101, 2018
262018
Molecular-Level Insights into Oxygen Reduction Catalysis by Graphite-Conjugated Active Sites
ND Ricke, AT Murray, JJ Shepherd, MG Welborn, T Fukushima, ...
ACS Catalysis 7 (11), 7680-7687, 2017
262017
entos: A quantum molecular simulation package
F Manby, T Miller, P Bygrave, F Ding, T Dresselhaus, F Batista-Romero, ...
222019
Band‐like Charge Photogeneration at a Crystalline Organic Donor/Acceptor Interface
MA Fusella, AN Brigeman, M Welborn, GE Purdum, Y Yan, RD Schaller, ...
Advanced Energy Materials 8 (9), 1701494, 2018
222018
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Makaleler 1–20