1 citations · 1 across the 5 of their papers we have counts for
5 papers
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…
A Granular Framework for Construction Material Price Forecasting: Econometric and Machine-Learning Approaches
Boge Lyu, Qianye Yin, Iris Denise Tommelein +4
The persistent volatility of construction material prices poses significant risks to cost estimation, budgeting, and project delivery, underscoring the urgent need for granular and…
Incorporating Memory into Propagation of 1-Electron Reduced Density Matrices
Harish S. Bhat, Hardeep Bassi, Karnamohit Ranka +1
For any linear system with unreduced dynamics governed by invertible propagators, we derive a closed, time-delayed, linear system for a reduced-dimensional quantity of interest. Th…
Statistical learning method for predicting density-matrix based electron dynamics
Prachi Gupta, Harish S. Bhat, Karnamohit Ranka +1
We develop a statistical method to learn a molecular Hamiltonian matrix from a time-series of electron density matrices. We extend our previous method to larger molecular systems b…
Machine Learning a Molecular Hamiltonian for Predicting Electron Dynamics
Harish S. Bhat, Karnamohit Ranka, Christine M. Isborn
We develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series of the electron density. As we demonstrate for three small molecules, the r…