Các bài viết có thể truy cập công khai - Christian F. A. NegreTìm hiểu thêm
Không có ở bất kỳ nơi nào: 1
Quantum-Based Molecular Dynamics Simulations with Applications to Industrial Problems
CFA Negre, AMN Niklasson, A Redondo
Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives …, 2021
Các cơ quan ủy nhiệm: US Department of Energy
Có tại một số nơi: 48
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B Hourahine, B Aradi, V Blum, F Bonafe, A Buccheri, C Camacho, ...
The Journal of chemical physics 152 (12), 2020
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy, German Research …
Eigenvector centrality for characterization of protein allosteric pathways
CFA Negre, UN Morzan, HP Hendrickson, R Pal, GP Lisi, JP Loria, ...
Proceedings of the National Academy of Sciences 115 (52), E12201-E12208, 2018
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy, US National …
Graph partitioning using quantum annealing on the d-wave system
H Ushijima-Mwesigwa, CFA Negre, SM Mniszewski
Proceedings of the Second International Workshop on Post Moores Era …, 2017
Các cơ quan ủy nhiệm: US Department of Energy
Detecting multiple communities using quantum annealing on the D-Wave system
CFA Negre, H Ushijima-Mwesigwa, SM Mniszewski
Plos one 15 (2), e0227538, 2020
Các cơ quan ủy nhiệm: US Department of Energy
A hybrid approach for solving optimization problems on small quantum computers
R Shaydulin, H Ushijima-Mwesigwa, CFA Negre, I Safro, SM Mniszewski, ...
Computer 52 (6), 18-26, 2019
Các cơ quan ủy nhiệm: US Department of Energy
Multilevel combinatorial optimization across quantum architectures
H Ushijima-Mwesigwa, R Shaydulin, CFA Negre, SM Mniszewski, ...
ACM Transactions on Quantum Computing 2 (1), 1-29, 2021
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy, US Department of …
Photoelectrochemical hole injection revealed in polyoxotitanate nanocrystals functionalized with organic adsorbates
CFA Negre, KJ Young, MB Oviedo, LJ Allen, CG Sánchez, ...
Journal of the American Chemical Society 136 (46), 16420-16429, 2014
Các cơ quan ủy nhiệm: US Department of Energy, Government of Argentina
Crucial role of nuclear dynamics for electron injection in a dye–semiconductor complex
A Monti, CFA Negre, VS Batista, LGC Rego, HJM de Groot, F Buda
The Journal of Physical Chemistry Letters 6 (12), 2393-2398, 2015
Các cơ quan ủy nhiệm: US Department of Energy
Substitution of a hydroxamic acid anchor into the MK-2 dye for enhanced photovoltaic performance and water stability in a DSSC
C Koenigsmann, TS Ripolles, BJ Brennan, CFA Negre, M Koepf, ...
Physical chemistry chemical physics 16 (31), 16629-16641, 2014
Các cơ quan ủy nhiệm: Government of Spain
Accurate Line Shapes from Sub-1 cm–1 Resolution Sum Frequency Generation Vibrational Spectroscopy of α-Pinene at Room Temperature
AL Mifflin, L Velarde, J Ho, BT Psciuk, CFA Negre, CJ Ebben, MA Upshur, ...
The Journal of Physical Chemistry A 119 (8), 1292-1302, 2015
Các cơ quan ủy nhiệm: US Department of Energy, US National Aeronautics and Space Administration
Variational quantum eigensolver with reduced circuit complexity
Y Zhang, L Cincio, CFA Negre, P Czarnik, PJ Coles, PM Anisimov, ...
npj Quantum Information 8 (1), 96, 2022
Các cơ quan ủy nhiệm: US Department of Energy
Interfacial electron transfer in photoanodes based on phosphorus (v) porphyrin sensitizers co-deposited on SnO 2 with the Ir (III) Cp* water oxidation precatalyst
PK Poddutoori, JM Thomsen, RL Milot, SW Sheehan, CFA Negre, ...
Journal of Materials Chemistry A 3 (7), 3868-3879, 2015
Các cơ quan ủy nhiệm: US Department of Energy
Computational Design of Intrinsic Molecular Rectifiers Based on Asymmetric Functionalization of N-Phenylbenzamide
W Ding, M Koepf, C Koenigsmann, A Batra, L Venkataraman, CFA Negre, ...
Journal of chemical theory and computation 11 (12), 5888-5896, 2015
Các cơ quan ủy nhiệm: US Department of Energy
Graph-based linear scaling electronic structure theory
A Niklasson, SM Mniszewski, CFA Negre, MJ Cawkwell, PJ Swart, ...
http://scitation.aip.org/content/aip/journal/jcp/144/23/10.1063/1.4952650, 2016
Các cơ quan ủy nhiệm: US Department of Energy
Enabling particle applications for exascale computing platforms
SM Mniszewski, J Belak, JL Fattebert, CFA Negre, SR Slattery, ...
The International Journal of High Performance Computing Applications 35 (6 …, 2021
Các cơ quan ủy nhiệm: US Department of Energy
Controlling the Rectification Properties of Molecular Junctions through Molecule−Electrode Coupling
M Koepf, C Koenigsmann, W Ding, A Batra, CFA Negre, ...
Nanoscale, 2016
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy
Computing molecular excited states on a D-Wave quantum annealer
A Teplukhin, BK Kendrick, SM Mniszewski, Y Zhang, A Kumar, CFA Negre, ...
Scientific reports 11 (1), 18796, 2021
Các cơ quan ủy nhiệm: US Department of Energy
Quantum-based molecular dynamics simulations using tensor cores
J Finkelstein, JS Smith, SM Mniszewski, K Barros, CFA Negre, ...
Journal of Chemical Theory and Computation 17 (10), 6180-6192, 2021
Các cơ quan ủy nhiệm: US Department of Energy
Recursive factorization of the inverse overlap matrix in linear-scaling quantum molecular dynamics simulations
CFA Negre, SM Mniszewski, MJ Cawkwell, N Bock, ME Wall, ...
Journal of Chemical Theory and Computation 12 (7), 3063-3073, 2016
Các cơ quan ủy nhiệm: US Department of Energy
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