6 citations · 12 across the 3 of their papers we have counts for
3 papers
BoFire: Bayesian Optimization Framework Intended for Real Experiments
Johannes P. Dürholt, Thomas S. Asche, Johanna Kleinekorte +15
Our open-source Python package BoFire combines Bayesian Optimization (BO) with other design of experiments (DoE) strategies focusing on developing and optimizing new chemistry. Pre…
Boundary Exploration for Bayesian Optimization With Unknown Physical Constraints
Yunsheng Tian, Ane Zuniga, Xinwei Zhang +5
Bayesian optimization has been successfully applied to optimize black-box functions where the number of evaluations is severely limited. However, in many real-world applications, i…
Learning a reactive potential for silica-water through uncertainty attribution
Swagata Roy, Johannes P. Dürholt, Thomas S. Asche +2
The reactivity of silicates in an aqueous solution is relevant to various chemistries ranging from silicate minerals in geology, to the C-S-H phase in cement, nanoporous zeolite ca…