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Gregory Voth

University of Chicago



Alexander J. Pak, John M. A. Grime, Prabuddha Sengupta, Antony K. Chen, Aleksander E. P. Durumeric, Anand Srivastava, Mark Yeager, John A. G. Briggs, Jennifer Lippincott-Schwartz, and Gregory A. Voth (2017): Immature HIV-1 Lattice Assembly Dynamics Are Regulated by Scaffolding from Nucleic Acid and the Plasma Membrane , Proceedings of the National Academy of Sciences, National Academy of Sciences


John M. A. Grime, James F. Dama, Barbie K. Ganser-Pornillos, Cora L. Woodward, Grant J. Jensen, Mark Yeager, and Gregory A. Voth (2016): Coarse-Grained Simulation Reveals Key Features of HIV-1 Capsid Self-Assembly, Nature Communications, Springer Nature, Vol 7, pp11568


John. M. A. Grime, and Gregory A. Voth (2014): Highly Scalable and Memory Efficient Ultra-Coarse-Grained Molecular Dynamics Simulations, J. Chem. Theory Comput., American Chemical Society (ACS), Vol 10, Num 1, pp423--431


James F. Dama, Anton V. Sinitskiy, Martin McCullagh, Jonathan Weare, Benoît Roux, Aaron R. Dinner, and Gregory A. Voth (2013): The Theory of Ultra-Coarse-Graining. 1. General Principles, J. Chem. Theory Comput., American Chemical Society (ACS), Vol 9, Num 5, pp2466--2480


Gregory Voth (2017): Large-Scale Coarse-Grained Molecular Simulations of The Viral Lifecylce of HIV-1, 2017 Blue Waters Annual Report, pp248-249


Gregory Voth (2016): Ultra-Coarse-Grained (UCG) Simulations of Viral Phenomena, 2016 Blue Waters Annual Report, pp240-241


Gregory Voth (2015): Ultra-Coarse-Grained Biomolecular Simulations, 2015 Blue Waters Annual Report, pp174-175
John Grime: Coarse-grained (CG) biomolecular simulations on Blue Waters
Blue Waters Symposium 2015, Dec 31, 1969

John Grime: A Different Type of "Computer Virus"

Blue Waters Symposium 2017, May 16, 2017

NSF awards time on Blue Waters to seven new projects

Oct 1, 2014

The National Science Foundation (NSF) has awarded 14 new allocations on the Blue Waters petascale supercomputer at the National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign. Seven of the awards are for new projects.


Really big problems

Feb 17, 2014

“We’re driven by solving really big problems,” says Greg Voth, the Haig P. Papazian Distinguished Service Professor of Chemistry at the University of Chicago. His research team uses multiscale computational simulation to study complex biomolecular, condensed phase, and novel materials systems. But these systems and processes are so complex that they are beyond the reach of molecular dynamics simulations that model every atom—even the largest simulations, containing tens of millions of atoms, can show only a fraction of a process in a living cell, for example. To simulate processes over greater time and length scales would require a new method.


This HIV computer model is ‘pretty darn close’ to reality

Jun 20, 2016

To combat viral diseases like HIV and Zika, scientists need to understand the “life cycle” of the virus and design drugs to interrupt it. But seeing what virus proteins do inside living cells is extremely difficult, even with the most powerful imaging technologies. Now scientists have developed an innovative supercomputer model of HIV that gives real insight into how a virus matures and becomes infective. “Understanding the details of viral maturation is considered a holy grail,” says Gregory Voth, a chemistry professor at the University of Chicago who built the model with research scientist John Grime.


NCSA releases 2017 Blue Waters Project Annual Report Detailing Innovative Research and Scientific Breakthroughs

Sep 1, 2017

The National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign released today the 2017 Blue Waters Project Annual Report. For the project’s fourth annual report, research teams were invited to present highlights from their research that leveraged Blue Waters, the National Science Foundation’s (NSF) most powerful system for sustained computation and data analysis. Spanning economics to engineering, geoscience to space science, Blue Waters has accelerated research and impact across an enormous range of science and engineering disciplines throughout its more than 4-year history covered by the report series. This year is no different.