Zobrazeno 1 - 10
of 1 625
pro vyhledávání: '"WALL, MICHAEL"'
Autor:
Fattebert, Jean-Luc, Negre, Christian F. A., Finkelstein, Joshua, Mohd-Yusof, Jamaludin, Osei-Kuffuor, Daniel, Wall, Michael E., Zhang, Yu, Bock, Nicolas, Mniszewski, Susan M.
To address the challenge of performance portability, and facilitate the implementation of electronic structure solvers, we developed the Basic Matrix Library (BML) and Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver (PROGRE
Externí odkaz:
http://arxiv.org/abs/2401.13772
We investigate quantum algorithms derived from tensor networks to simulate the static and dynamic properties of quantum many-body systems. Using a sequentially prepared quantum circuit representation of a matrix product state (MPS) that we call a qua
Externí odkaz:
http://arxiv.org/abs/2309.15165
Publikováno v:
Phys. Rev. A 109, 013318 (2024)
The experimental realization of Fermi-Hubbard tweezer arrays opens a new stage for engineering fermionic matter, where programmable lattice geometries and Hubbard model parameters are combined with single-site imaging. In order to use these versatile
Externí odkaz:
http://arxiv.org/abs/2306.03019
Autor:
Cavender, Chapin E., Case, David A., Chen, Julian C. -H., Chong, Lillian T., Keedy, Daniel A., Lindorff-Larsen, Kresten, Mobley, David L., Ollila, O. H. Samuli, Oostenbrink, Chris, Robustelli, Paul, Voelz, Vincent A., Wall, Michael E., Wych, David C., Gilson, Michael K.
This review article provides an overview of structurally oriented, experimental datasets that can be used to benchmark protein force fields, focusing on data generated by nuclear magnetic resonance (NMR) spectroscopy and room temperature (RT) protein
Externí odkaz:
http://arxiv.org/abs/2303.11056
Autor:
Wall, Michael T
Although markets for alternative batteries, such as Li-ion, are growing, Pb-alloy batteries still dominate the market due to their low cost and good functionality. Even though these Pb-alloy batteries have been around since their discovery in 1859, l
Externí odkaz:
https://digital.library.unt.edu/ark:/67531/metadc1944311/
Graph-based linear scaling electronic structure theory for quantum-mechanical molecular dynamics simulations is adapted to the most recent shadow potential formulations of extended Lagrangian Born-Oppenheimer molecular dynamics, including fractional
Externí odkaz:
http://arxiv.org/abs/2212.01997
Autor:
Wittwer, Felix, Sauter, Nicholas K., Mendez, Derek, Poon, Billy K., Brewster, Aaron S., Holton, James M., Wall, Michael E., Hart, William E., Bard, Deborah J., Blaschke, Johannes P.
The upcoming exascale computing systems Frontier and Aurora will draw much of their computing power from GPU accelerators. The hardware for these systems will be provided by AMD and Intel, respectively, each supporting their own GPU programming model
Externí odkaz:
http://arxiv.org/abs/2205.07976