1 citations · 1 across the 2 of their papers we have counts for
3 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…
The Denario project: Deep knowledge AI agents for scientific discovery
Francisco Villaescusa-Navarro, Boris Bolliet, Pablo Villanueva-Domingo +33
We present Denario, an AI multi-agent system designed to serve as a scientific research assistant. Denario can perform many different tasks, such as generating ideas, checking the…
Accelerated Development of Multicomponent Alloys in Discrete Design Space Using Bayesian Multi-Objective Optimisation
Osman Mamun, Markus Bause, Bhuiyan Shameem Mahmud Ebna Hai
Bayesian optimization (BO) protocol based on Active Learning (AL) principles has garnered significant attention due to its ability to optimize black-box objective functions efficie…