Optimizing training trajectories in variational autoencoders via latent Bayesian optimization approach... Journal February, 2023
Accelerating the density-functional tight-binding method using graphical processing units... Journal February, 2023
A Membrane Contactor Enabling Energy-Efficient CO2 Capture from Point Sources with Deep Eutectic Solvents... Journal February, 2023
Towards a Software Development Framework for Interconnected Science Ecosystems Conference Paper January, 2023
AtomAI framework for deep learning analysis of image and spectroscopy data in electron and scanning probe microscopy... Journal December, 2022
Mechanical properties of zeolite-templated carbons from approximate density functional theory calculations Journal December, 2022
Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models... Conference Paper December, 2022
Deep learning for electron and scanning probe microscopy: From materials design to atomic fabrication... Journal November, 2022
Extracting Inelastic Scattering Cross Sections for Finite and Aperiodic Materials from Electronic Dynamics Simulations Journal November, 2022