Naman Katyal
Postdoctoral Researcher
Contact
Naman Katyal
Postdoctoral Researcher
Materials Science Division
Berkeley National Laboratory
I am a Ph.D. from the University of Texas @ Austin with Graeme Henkelman working as a postdoctoral researcher in the Materials Science Division at Lawrence Berkeley National Laboratory. Broadly, I am a computational materials scientist who develops models for energy storage and conversion material. As a modeling person, I have variety of tools up my sleeve: density functional theory (electronic structure), machine learning (neural networks) and diffusion models (large language models).
I develop computational workflows to automate my daily tasks related to computational modeling which are maintained on my gitlab page. This involves frameworks for high throughput computation for materials discovery, routines for accurate materials property calculation, toolkits for developing machine learning models and code-frame that interact with LLM APIs for my research tasks. I am always looking for new methodologies from different sections of the chemical science and artificial intelligence community that enable finding solutions to energy related challenges in our lives.
My research involves working closely with experimental material characterization. I have extensive experience in modeling EXAFS, Raman, UV-Vis, IR, and XRDS from electronic structure methods that can be compared directly with the above mentioned experimental characterization and other tools like high resolution TEM, 4D-STEM. I believe in developing computational models which resemble experimentally synthesized material as closely as possible to make accurate predictions. I enjoy discussing science with everyone because there is so much I don't know, and fun to exchange ideas.
Other interests: I love reading books (I am that person who will turn on cabin light on a flight to read a book), watching football (Premier League and NFL), camping, paddle boarding, and traveling. I am always looking for an opportunity to travel to a new city or country and explore around.
If you made it all the way to the end, then I would like to leave you with a quote from 21 Lessons for the 21st Century by Yuval Noah Harari, which I believe is truly inspiring: Is Homo Sapiens capable of making sense of the world it has created? I think about this every day as I work, read, travel and experience the world around me and believe there is a place in this world to make a positive contribution.
I develop computational workflows to automate my daily tasks related to computational modeling which are maintained on my gitlab page. This involves frameworks for high throughput computation for materials discovery, routines for accurate materials property calculation, toolkits for developing machine learning models and code-frame that interact with LLM APIs for my research tasks. I am always looking for new methodologies from different sections of the chemical science and artificial intelligence community that enable finding solutions to energy related challenges in our lives.
My research involves working closely with experimental material characterization. I have extensive experience in modeling EXAFS, Raman, UV-Vis, IR, and XRDS from electronic structure methods that can be compared directly with the above mentioned experimental characterization and other tools like high resolution TEM, 4D-STEM. I believe in developing computational models which resemble experimentally synthesized material as closely as possible to make accurate predictions. I enjoy discussing science with everyone because there is so much I don't know, and fun to exchange ideas.
Other interests: I love reading books (I am that person who will turn on cabin light on a flight to read a book), watching football (Premier League and NFL), camping, paddle boarding, and traveling. I am always looking for an opportunity to travel to a new city or country and explore around.
If you made it all the way to the end, then I would like to leave you with a quote from 21 Lessons for the 21st Century by Yuval Noah Harari, which I believe is truly inspiring: Is Homo Sapiens capable of making sense of the world it has created? I think about this every day as I work, read, travel and experience the world around me and believe there is a place in this world to make a positive contribution.