1 citations · 1 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2026
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
physics.chem-ph2024
Atomistic Descriptor Optimization Using Complementary Euclidean and Geodesic Distance Information
Gopal R. Iyer, Brenda M. Rubenstein
Descriptors are physically-inspired schemes for representing atomistic systems that play a central role in the construction of models of potential energy surfaces. Although physica…
physics.chem-ph2024★ 1 cited
Force-free identification of minimum-energy pathways and transition states for stochastic electronic structure theories
Gopal R. Iyer, Noah Whelpley, Juha Tiihonen +3
Stochastic electronic structure theories, e.g., Quantum Monte Carlo methods, enable highly accurate total energy calculations which in principle can be used to construct highly acc…