About Me

My research sits at the intersection of modeling and experiments, where I use computational tools to interpret results and guide experimental directions. I have experience in applying a broad range of modeling techniques, from first-principles calculations to process simulations, to derive insights that inform materials and process design. During my PhD, I focused on using first-principles computational modeling to design and understand materials relevant to sustainable technologies. The following infographic tries to capture the most important features..


Career vision

My goal is to join an industrial R&D team to drive innovation at the intersection of chemistry and computational modeling. I am particularly passionate about applying methods such as first-principles modeling and machine learning to enhance multiscale modeling, integrate simulations with experimental data, and enable faster, data-driven materials.

As a small exhibit of my work, check out this atomic-level interaction we found guiding the enantioselectivity.

For more information, visit my portfolio page to see the range of projects I have been involved in. Or download my Resumé from the link.

Selected Awards and Honors

  • Awarded 1st place in oral talks in CHBE GSAC Symposium 2025 by a panel of industry committee
  • Granted Graduate College travel award to present my work at AIChE 2025 in Boston, MA
  • Jan 2024 - Joint 4th place at Young Scientist Symposium at the Catalysis Club of Chicago
  • Apr 2023 - Received Hanratty travel award to present research work in NAM 2023, Providence, RI
  • May 2022 - Named on the list of teachers ranked as excellent. Link. Search for GAUTAM,A
  • May 2020 - Selected as best group presentation for the course Process Systems Engineering
  • Jul 2018 - Awarded undergraduate research awards URA01 and URA02 for exceptional work
  • Apr 2018 - Selected as best senior-year research project by a committee of external industry experts