Combining variational autoencoders and physical bias for improved microscopy data analysis ∗ October, 2023
Multiple redox mechanisms for water-gas shift reaction on Fe3O4 (1 1 1) surface: A density functional theory and mean-field microkinetic modeling study Journal September, 2023
Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state Journal September, 2023
Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene Conference Paper September, 2023
Quantum biological insights into CRISPR-Cas9 sgRNA efficiency from explainable-AI driven feature engineering September, 2023
A Multi-Objective Bayesian Optimized Human Assessed Multi-Target Generated Spectral Recommender System for Rapid Pareto Discoveries of Material Properties Conference Paper August, 2023
Toward Quantum Chemical Free Energy Simulations of Platinum Nanoparticles on Titania Support Journal August, 2023
Multiobjective Hyperparameter Optimization for Deep Learning Interatomic Potential Training Using NSGA-II... August, 2023