• Objective

    We study computational biology and simulations to decipher the elemental processes and to help alleviate human suffering. The methods developed in our lab allow for the prediction of how chemical reactions in enzymes and solutions can lead to more efficient chemical processes and the development of new and effective drugs."

    "As one of the pioneers of using computer simulations for complex molecular systems, I learned since the late 60s to use very limited resources to capture the main physics of biological systems, without consuming enormous computer power." Arieh Warshel.

  • Method

    Professor Warshel and his research team leverage their knowledge of chemistry, biology and computer science to simulate biological systems to better understand their structure and function. This methodology has pioneered highly effective models for computer simulations of biological molecules, chemical reactions, and interactive drug therapies.

  • Compute Resources

    The Warshel research group operates 38 dedicated compute nodes on The University of Southern California HPC, all based on Intel CPU architecture and capable of achieving a benchmark of 12.2 trillion floating-point calculations per second. Our lab operates 5 home-based dedicated compute servers (also based on Intel CPU architecture) that can add another 5.18 trillion floating-point calculations per second to the total compute capacity available to group's members.



  • IN THE NEWS

  • Warshel postdoc selected to attend prestigious Nobel Laureate meeting

    By Matthew Colopy June 14, 2024 (Publication courtesy of Darrin S. Joy/Dornsife Communications)

    Ashim Nandi, postdoctoral scholar at the USC Dornsife College of Letters, Arts and Sciences, has been selected to participate in the 73rd Lindau Nobel Laureate Meeting, taking place June 30 to July 5 in Lindau, Germany.

    Nandi, who was selected based on his demonstrated excellence in research documented through publications, was nominated by 2013 Nobel laureate for chemistry Arieh Warshel, Distinguished Professor of Chemistry, Biochemistry, Chemical Engineering and Materials Science and Quantitative and Computational Biology and Dana and David Dornsife Chair in Chemistry at USC Dornsife.

    Nandi was also named a Mars Fellow, which helps young scientists advance their research and supports collaborations across disciplines.

    Joining about 30 Nobel laureates and selected fellows from academic institutions worldwide, Nandi will participate in lectures, Agora talks and panel discussions. He’ll also have opportunities to network with the laureates and other scholars during the annual meeting.

    A member of Warshel’s group within USC Dornsife’s Department of Chemistry, Nandi conducts research under Warshel’s mentorship. His research focus is on enzyme catalysis, specifically targeting plastic-degrading enzymes to address global environmental challenges using advanced physics-based methods.

    “Ashim is an exceptional choice to represent USC and my group at Lindau this summer,” Warshel said. “He is an excellent postdoctoral scientist who will benefit greatly from this annual meeting and will add strong and scholarly contributions to the appropriate sessions.”

    The Lindau Nobel Laureate Meetings were established in 1951 to provide an international forum for exchange for laureates and young scientists.

  • Chemistry postdoctoral scholar Ashim Nandi will attend the 73rd Lindau Nobel Laureate Meeting in Germany this summer. (Photo: Courtesy of Ashim Nandi; Darrin S. Joy/Adobe Generative AI.)