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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.
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.
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.
Ashim Nandi, a postdoctoral scholar at the USC Dornsife’s Department of Chemistry, has accepted an Assistant Professor position at the Indian Institute of Technology (IIT) Goa, one of India’s leading institutions and part of the prestigious IIT system.
Nandi, A Lindau Nobel Laureate alumnus and Mars Fellow, has been conducting research under the mentorship of 2013 Nobel laureate in Chemistry, Professor Arieh Warshel, Distinguished Professor of Chemistry, Biochemistry, Chemical Engineering and Materials Science, and Quantitative and Computational Biology, and holder of the Dana and David Dornsife Chair in Chemistry at USC Dornsife.
A member of Warshel’s group within USC Dornsife’s Department of Chemistry, Nandi’s research focuses on enzyme catalysis, including covalent drug discovery for viral proteases and the design of plastic-degrading enzymes to address global environmental challenges. His work, which integrates advanced physics-based and multiscale simulation methods, has been published in leading journals such as JACS, ACS Catalysis, and PNAS. In addition to his research contributions, Nandi demonstrated strong mentorship skills, guiding undergraduate students, graduate researchers, and early-career postdoctoral scholars in the Warshel group. He also played a key role in managing and maintaining the group’s high-performance computing (HPC) servers, ensuring the efficient execution of complex computational research.
“It is no surprise that Ashim has been selected for a faculty position at IIT Goa,” said Warshel. “He is an exceptional scientist with the potential to make significant contributions to molecular biophysics. I wish him continued success in this next stage of his career.”
Indian Institute of Technology strives to become a unique institution of higher learning, offering state of the art education, research, and training in science and technology to have impact on society, environment and global challenges.
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