Publication

First-principles molecular dynamics simulations of proton diffusion in cubic BaZrO3 perovskite under strain conditions

Related publications (34)

About
Privacy
Disclaimer

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

First-principles molecular dynamics simulations of proton diffusion in cubic BaZrO3 perovskite under strain conditions

Graph Chatbot

Chat with Graph Search

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Atomic-Level Structure and Thermodynamic and Kinetic Modelling of Zinc-Modified C-S-H

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Ab Initio Electron-Phonon Interactions in Correlated Electron Systems

Deterministic and Statistical Approaches to Quantum Chemistry

The ONETEP linear-scaling density functional theory program

Solvent-Aware Interfaces in Continuum Solvation

Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory