33 citations · 57 across the 3 of their papers we have counts for
4 papers
Democratizing Atomistic Simulation Workflows for the AI Era with the Quantum Accelerator
Andrew S. Rosen, Naisargi Goyal, Brad Ayers +25
We present the Quantum Accelerator (QuAcc), an open-source workflow library for atomistic simulations with an emphasis on quantum-mechanical calculations. QuAcc provides predefined…
Generative Latent Space Dynamics of Electron Density
Yuan Chiang, Youngsoo Choi, Daniel Osei-Kuffuor
Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spe…
LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation
Yuan Chiang, Elvis Hsieh, Chia-Hong Chou +1
Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences, where reliability and reproducibility are crucial. However, LLMs inherently lack long-…
Matbench Discovery -- A framework to evaluate machine learning crystal stability predictions
Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner +7
The rapid adoption of machine learning (ML) in domain sciences necessitates best practices and standardized benchmarking for performance evaluation. We present Matbench Discovery,…