2 papers
cond-mat.mtrl-sci2025
Adsorption energies are necessary but not sufficient to identify good catalysts
Shahana Chatterjee, Alexander Davis, Lena Podina +7
As a core technology for green chemical synthesis and electrochemical energy storage, electrocatalysis is central to decarbonization strategies aimed at combating climate change. I…
cs.LG2025
Catalyst GFlowNet for electrocatalyst design: A hydrogen evolution reaction case study
Lena Podina, Christina Humer, Alexandre Duval +7
Efficient and inexpensive energy storage is essential for accelerating the adoption of renewable energy and ensuring a stable supply, despite fluctuations in sources such as wind a…