Scalable Molecular Dynamics

Mason’s Dr. Estela Blaisten-Barojas, Professor of Computational Physics and Chemistry in the Department of Computational and Data Sciences, was interested in undertaking a study of predictive computational and simulation-based approaches in chemical and materials sciences, combined with engineering approaches. She understood that the results would be central to finding innovative solutions for environmental pollution, healthcare, sustainable energy resources, global warming, and ways of fighting terrorism, crucial to both Virginia’s and the nation’s competitiveness in science and engineering. As the director of the Center for Simulation and Modeling (CSM), Blaisten-Barojas knew much of the work could be done through the CSM, but to really maximize the study, she recognized that Dr. Eric Weisel, Executive Director, Virginia Modeling, Analysis, and Simulation Center (VMASC) at Old Dominion University, would be the perfect partner.  Together, thanks to a 4-VA grant, the research proved fruitful.

Read more https://4va.gmu.edu/masons-center-for-simulation-and-modeling-scales-up-with-4-va-partner-odu/

Dr. Estela Blaisten-Barojas
Professor of Computational Physics and Chemistry
Director of Mason’s Center for Simulation and Modeling

Dr. Eric Weisel
Executive Director, Virginia Modeling, Analysis, and Simulation Center (VMASC)

Grant Info

  • 2018 – 4-VA awarded GMU $25,000 for Scalable Molecular Dynamics to study predictive computational and simulation-based approaches in chemical and materials sciences combined with engineering approaches.

This is a very important first step. We now know who they are (VMASC) and they know who we are. I know that if they see possibilities in some of their initiatives, they will knock on our door first and we will do the same.

Benefits to the Commonwealth

Discovered innovative solutions to help study the following issues, all crucial to both Virginia’s and the nation’s competitiveness in science and engineering:

  • Environmental pollution
  • Healthcare
  • Sustainable energy resources
  • Global warming
  • Ways of fighting terrorism

Student Impact

Provided opportunity for innovative research for three students

Student Researchers

  • Gideon Gogovi
  • Scott Hopkins
  • James Andrews
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