I am Bharath Raghavan, a scientist in the Life & Physical Sciences division at Terra Quantum AG. At Terra Quantum, we work with pharmaceutical companies to accelerate early stage drug discovery. Currently, I work on combining deep generative AI with quantum-based methods to accelerate computational drug design—particularly in regimes where data is limited and traditional approaches break down.

I have a diverse work/education experience, having been involved with institutions in India, the United States and Germany. I also have a diverse training in computational chemistry, bio- & pharmaceutical chemistry, physical & materials chemistry, machine learning & data science, high performance computing, and the chemical industry.

Throughout my career, I was involved in research activities dealing with quantum chemistry, machine/deep learning, computational drug design and high-performance computing to push pharmacology to the next generation. Highly scalable quantum simulations, coupled with complex deep learning neural networks, can give us intricate atomic-level insights of pharmaceutically relevant enzyme function. I believe that this deep quantum-level understanding of our biology can greatly streamline the drug design process by promoting the rational and scientific design of inhibitors. The wider promulgation of supercomputing technologies will allow the scientific community to unlock the huge potential of AI-accelerated quantum simulations for pharmacology.

Contact me if you wish to collaborate on these exciting ideas!

My Experience

Scientist
Duration: March 2026 – Current
Location: Munich (München), Germany
Work: Combining AI and quantum methods within the TQChem software for faster drug design

Postdoctoral Research Associate
Duration: Nov 2024 – March 2026
Location: Oak Ridge, United States of America
Work: Performed Research on Generative AI and Highly Scalable Quantum Simulations for Biophysics and Computational Drug Design in the National Center for Computational Sciences Division

Doctoral Student
Duration: Feb 2020 – Feb 2024
Location: Jülich, Germany
Advisor: Prof. Dr. Paolo Carloni
Work: Performed Research Towards Doctoral Thesis within the Computational Biomedicine Institute

Graduate Engineering Trainee
Duration: July 2017 – May 2018
Location: Dahej, India
Work: Process Engineer at the Ethylene Oxide/Ethylene Glycol (EO/EG) Sub-divsion

Visiting Student in Physics
Duration: May – June 2018
Location: Prayagraj, India
Advisor: Prof. Pinaki Majumdar
Work: Tight Binding Simulations of Condensed Matter Systems

My Education

Doctor rerum naturalium (Dr. rer. nat.) in Physics
Duration: Oct 2020 – Aug 2024
Location: Aachen, Germany
Advisor: Prof. Dr. Paolo Carloni
Thesis: High performance Computing-Based QM/MM Simulations for Drug Design: Application to the Non-Invasive Diagnosis of IDH1-Associated Glioma

Master of Science (MS) in Colloids, Polymers and Surfaces
Duration: Aug 2018 – Dec 2019
Location: Pittsburg, United States of America
Advisor: Prof. Hyung Kim
Thesis: Theoretical Study of Transesterification of Cellulose Biopolymer in Ionic Liquids

Bachelor of Engineering (B.E.) in Chemical Engineering
Duration: Aug 2013 – April 2017
Location: Bengaluru, India
Advisor: Dr. Tribikram Gupta
Thesis: Molecular Dynamics of H₂/CH₄ Gas Permeation in Nanoporous Graphene