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Brenda M. Rubenstein
Brenda M. Rubenstein
Associate Professor of Chemistry, Brown University
Verifierad e-postadress på brown.edu - Startsida
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QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ...
Journal of Physics: Condensed Matter 30 (19), 195901, 2018
2772018
The role of extracellular matrix in glioma invasion: a cellular Potts model approach
BM Rubenstein, LJ Kaufman
Biophysical journal 95 (12), 5661-5680, 2008
1332008
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ...
The Journal of chemical physics 152 (17), 2020
1072020
Synthesis of All-Inorganic Cd-Doped CsPbCl3 Perovskite Nanocrystals with Dual-Wavelength Emission
T Cai, H Yang, K Hills-Kimball, JP Song, H Zhu, E Hofman, W Zheng, ...
The Journal of Physical Chemistry Letters 9 (24), 7079-7084, 2018
982018
Pressure-induced phase transformation and band-gap engineering of formamidinium lead iodide perovskite nanocrystals
H Zhu, T Cai, M Que, JP Song, BM Rubenstein, Z Wang, O Chen
The Journal of Physical Chemistry Letters 9 (15), 4199-4205, 2018
842018
Multicomponent molecular memory
CE Arcadia, E Kennedy, J Geiser, A Dombroski, K Oakley, SL Chen, ...
Nature communications 11 (1), 691, 2020
492020
Ab Initio Finite Temperature Auxiliary Field Quantum Monte Carlo
Y Liu, M Cho, B Rubenstein
Journal of Chemical Theory and Computation 14 (9), 4722-4732, 2018
452018
Accurate predictions of electron binding energies of dipole-bound anions via quantum Monte Carlo methods
H Hao, J Shee, S Upadhyay, C Ataca, KD Jordan, BM Rubenstein
The journal of physical chemistry letters 9 (21), 6185-6190, 2018
322018
Finite-temperature auxiliary-field quantum Monte Carlo technique for Bose-Fermi mixtures
BM Rubenstein, S Zhang, DR Reichman
Physical Review A 86 (5), 053606, 2012
322012
Predicting the viability of beta-lactamase: How folding and binding free energies correlate with beta-lactamase fitness
J Yang, N Naik, JS Patel, CS Wylie, W Gu, J Huang, FM Ytreberg, MT Naik, ...
PloS one 15 (5), e0233509, 2020
272020
Encoding information in synthetic metabolomes
E Kennedy, CE Arcadia, J Geiser, PM Weber, C Rose, BM Rubenstein, ...
PLoS One 14 (7), e0217364, 2019
272019
Observation of a -Type Dipole-Bound State in Molecular Anions
DF Yuan, Y Liu, CH Qian, YR Zhang, BM Rubenstein, LS Wang
Physical Review Letters 125 (7), 073003, 2020
262020
A combined first principles study of the structural, magnetic, and phonon properties of monolayer CrI3
D Staros, G Hu, J Tiihonen, R Nanguneri, J Krogel, MC Bennett, ...
The Journal of Chemical Physics 156 (1), 2022
232022
Finite temperature auxiliary field quantum Monte Carlo in the canonical ensemble
T Shen, Y Liu, Y Yu, BM Rubenstein
The Journal of Chemical Physics 153 (20), 2020
232020
Principles of information storage in small-molecule mixtures
JK Rosenstein, C Rose, S Reda, PM Weber, E Kim, J Sello, J Geiser, ...
IEEE Transactions on NanoBioscience 19 (3), 378-384, 2020
232020
Auxiliary-field-based trial wave functions in quantum Monte Carlo calculations
CC Chang, BM Rubenstein, MA Morales
Physical Review B 94 (23), 235144, 2016
212016
Controlling the folding and substrate-binding of proteins using polymer brushes
BM Rubenstein, I Coluzza, MA Miller
Physical Review Letters 108 (20), 208104, 2012
182012
Unveiling the finite temperature physics of hydrogen chains via auxiliary field quantum Monte Carlo
Y Liu, T Shen, H Zhang, B Rubenstein
Journal of Chemical Theory and Computation 16 (7), 4298-4314, 2020
172020
Polarization of valence orbitals by the intramolecular electric field from a diffuse dipole-bound electron
DF Yuan, Y Liu, CH Qian, GS Kocheril, YR Zhang, BM Rubenstein, ...
The Journal of Physical Chemistry Letters 11 (18), 7914-7919, 2020
162020
Auxiliary field quantum Monte Carlo for multiband Hubbard models: Controlling the sign and phase problems to capture Hund's physics
H Hao, BM Rubenstein, H Shi
Physical Review B 99 (23), 235142, 2019
162019
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Artiklar 1–20