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Nancy Makri

University of Illinois at Urbana-Champaign

Chemistry

2016

Nancy Makri (2016): Blip-Summed Quantum-Classical Path Integral with Cumulative Quantum Memory, Faraday Discussions, Royal Society of Chemistry (RSC), Vol 195, pp81--92

2015

Peter L. Walters, and Nancy Makri (2015): Quantum-Classical Path Integral Simulation of Ferrocene-Ferrocenium Charge Transfer in Liquid Hexane, The Journal of Physical Chemistry Letters, American Chemical Society (ACS), Vol 6, Num 24, pp4959--4965

2017

Nancy Makri (2017): Quantum-Classical Path Integral Simulation of Charge Transfer Reactions, 2017 Blue Waters Annual Report, pp222-223

2016

Nancy Makri (2016): Quantum-Classical Path Integral Simulation of Charge Transfer Reactions, 2016 Blue Waters Annual Report, pp228-229

2015

Nancy Makri (2015): Quantum-Classical Path Integral Simulation of Proton Transfer in Solution, 2015 Blue Waters Annual Report, pp160-161

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

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: 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

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

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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