Nancy Makri
Real-Time Path Integral Simulation of Excitation Energy Transfer
(bbfb)Jan 2021 - Dec 2021
Quantum-Classical Path Integral Simulation of Proton Translocation
(bbbd)Dec 2019 - Dec 2020
Quantum-classical path integral simulation of electronic transitions
(bapj)Dec 2017 - Mar 2019
Quantum-Classical Path Integral Simulation of Charge Transfer Reactions
(baks)May 2017 - May 2018
Quantum-Classical Path Integral Simulation of Charge Transfer Reactions
(babf)May 2017 - May 2018
Quantum-Classical Path Integral Simulation of Proton and Electron Transfer
(joo)Nov 2014 - Nov 2015
2022
2021
2016
2015
2019
2018
2017
2016
2015
Nancy Makri: Quantum-Classical Path Integral Simulation of Electron Transfer Reactions in Solution
Blue Waters Symposium 2018, Jun 5, 2018
Nancy Makri: Interference, decoherence, and quantum-classical path integral simulations with thousands of atoms
American Conference on Theoretical Chemistry; Boston, Massachusetts, U.S.A., Jul 20, 2017
Peter L. Walters and N. Makri: Quantum-classical path integral calculations of ferrocene-ferrocenium charge transfer in solution
American Conference on Theoretical Chemistry; Boston, Massachusetts, U.S.A., Jul 18, 2017
Nancy Makri: Rigorous Quantum-Classical Path Integral Formulation of Real-Time Dynamics
Abdus Salam International Centre for Theoretical Physics (ICTP) workshop on Understanding Quantum Phenomena with Path Integrals: From Chemical Systems to Quantum fluids and Solids; Trieste, Italy, Jul 5, 2017
Nancy Makri: Quantum-Classical Path Integral: A Rigorous and Powerful Methodology for Simulating Nonadiabatic Processes in Complex Environments
49th annual Midwest Theoretical Chemistry Conference (MWTCC); East Lansing, Michigan, U.S.A., Jun 2, 2017
Amartya Bose and N. Makri: Quantum Mechanical Rate Calculations in Condensed Phase Reactions
49th annual Midwest Theoretical Chemistry Conference (MWTCC); East Lansing, Michigan, U.S.A., Jun 2, 2017
Peter Walters: Quantum-classical Path Integral Simulations of Ferrocene-Ferrocenium Charge Transfer in Solution
Blue Waters Symposium 2016, Jun 13, 2016
Thomas Allen: Protons and Path Integrals: Landmark Simulations of Condensed Phase Charge Transfer
Blue Waters Symposium 2015, May 13, 2015
NCSA Grants $2.6M in Blue Waters Awards to Illinois Researchers
Jul 6, 2017
The National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign has awarded 3,697,000 node hours (NH) of time on the Blue Waters supercomputer to Illinois researchers from Spring 2017 proposal submissions. The combined value of these awards is over $2.6 million dollars, and through the life of the Blue Waters program, NCSA has awarded over 43 million node hours to UI researchers—a value of nearly $27 million. Some of the time allocated for Blue Waters will go to projects that focus on HIV research, Laser Interferometer Gravitational-Wave Observatory (LIGO) simulations, genomics and global warming research.
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18 general, 9 exploratory allocations on Blue Waters awarded to Illinois researchers
Nov 24, 2014
Eighteen researchers at the University of Illinois at Urbana-Champaign received allocations on the Blue Waters petascale supercomputer at the National Center for Supercomputing Applications (NCSA). A portion of available time on Blue Waters is reserved for University faculty and staff projects like these that require the system’s unique capabilities. Ten of the awards will continue projects already running on Blue Waters, related to a wide variety of topics like tornadoes, steel casting, and cell function, among others. Eight allocations are for new projects.
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22 Illinois projects receive time on Blue Waters
Jun 11, 2013
The University of Illinois at Urbana-Champaign has awarded access to the Blue Waters supercomputer—which is capable of performing quadrillions of calculations every second and of working with quadrillions of bytes of data—to 22 campus research teams from a wide range of disciplines. The computing and data capabilities of Blue Waters, which is operated by the National Center for Supercomputing Applications (NCSA), will assist researchers in their work on understanding DNA, developing biofuels, simulating climate, and more.
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