Bharath Raghavan

Dr. Bharath Raghavan is a Postdoctoral Research Associate in the Advanced Computing for Chemistry and Materials group at ORNL’s National Center for Computational Science division. His doctoral research with Prof. Paolo Carloni in the Computational Biomedicine institute at Forschungszentrum Jülich involved the problem of non-invasive detection of glioma through HPC and QM/MM simulations of the IDH1 protein. This included integrating the MiMiC QM/MM software package into a HPC-based virtual screening protocol, and the development of the MiMiCPy toolkit to streamline MiMiC simulation setup.

His research interests lies in the intersection of computational drug design, AI, quantum biophysics and HPC. The high research costs and expensive failure rates of the drug design & discovery process necessitate the need for new methods. Highly scalable quantum simulations, coupled with complex deep learning neural networks, has the potential to provide intricate atomic-level insights of our biology and greatly streamline the drug design process.

Bharath has a broad skill set in computational and pharmaceutical chemistry, machine learning and scientific computing. He also has spent his professional career in a diversity of work environments, across institutions in India, Europe and the United States.