Ajay Melekamburath
Computational Chemistry | C++ | High-performance Computing
## about
I am a graduate student in the Valeev Group at Virginia Tech, where I work on many-body electronic structure methods. My research primarily focuses on developing higher-order coupled-cluster methods and their application to ground and excited state properties.
I am equal parts scientist and developer: much of my time goes into the tools that make the interesting
science possible, including SeQuant,
a framework for symbolic and numerical tensor algebra, and MPQC4, a parallel, distributed-memory
electronic structure package built on TiledArray.
I work mostly in modern C++ and Python, with an eye toward high-performance computing. Before
Virginia Tech, I completed my integrated BS-MS at IISER
Thiruvananthapuram, developing empirical interaction potentials for layered materials.
Away from the terminal, I am usually out with a camera. You can find some of my photography on Instagram.
## recent publications
- 2026 SeQuant framework for symbolic and numerical tensor algebra. I. Core capabilitiesThe Journal of Chemical Physicsdoi:10.1063/5.0311913
- 2026 Adsorption of Aromatic Hydrocarbons on Graphene: From Energy Decomposition to Stable Adsorption GeometriesChemistry – An Asian Journaldoi:10.1002/asia.70603