Negin Forouzesh

Negin Forouzesh is a tenure-track Associate Professor in the Department of Computer Science at California State University, Los Angeles, with a joint appointment in the Biomedical Engineering (BME) Minor Program. She co-directs the NSF-PREC program and contributes to AMBER, an open-source molecular dynamics software.

• Ph.D. in Computer Science from Virginia Tech (2020)
• M.Sc. and B.Sc. from Amirkabir University of Technology (Tehran Polytechnic)

Her research focuses on computational sciences for drug discovery, combining machine learning, scalable optimization algorithms, and high-performance computing to model biomolecular systems. She pioneered physics-informed neural networks for binding free energy calculations and developed novel geometric metrics for protein pocket analysis.

Recent work trends show expertise in deep generative models for ligand discovery, virtual reality applications in molecular docking, and hybrid physics-ML approaches for predictive modeling in biomolecular systems.

As a principal investigator for NIH-R16 and co-director of NSF-PREC programs, she leads interdisciplinary projects spanning computational biology, medical imaging, and software development for molecular simulations.

Her lab, COMB Lab, maintains active GitHub repositories and collaborates with institutions like Stanford Center for Genomics and MolSSI.