Prashun Gorai

Computationally Guided Materials Discovery

Research Assistant Professor

Department of Metallurgical and Materials Engineering and Materials Science Program

Colorado School of Mines (CSM)

National Renewable Energy Laboratory (NREL)

Ph.D. (Chemical Engineering, University of Illinois at Urbana-Champaign)

B.Tech (Chemical Engineering, Indian Institute of Technology Madras)

Google Scholar     ResearchGate    Publons    SpeakerDeck

Contact: please get in touch by e-mail.

Open-Access Research

Our research focuses on utilizing computational tools to accelerate the discovery and design of novel functional materials for various technologically-useful applications. One of the key aspects of our research is to make our computational data free and publicly accessible. To this end, we have developed the Thermoelectrics Design Lab TEDesignLab (, a thermoelectrics-focused virtual platform that contains thermoelectric performance rankings of materials as well a suite of interactive web-based tools to explore and mine the data. We are also collaborating with Citrine Informatics to create the first-ever database of first-principles defect calculations.


Given the interdisciplinary nature of our research, we collaborate with a number of experimental as well as computational research groups.

Beyond  universities and national labs, we also collaborate with industrial partners with special focus on materials discovery and data informatics.