33 citations · 33 across the 3 of their papers we have counts for
3 papers · 1 filter
Gibbs-Duhem-Informed Neural Networks for Binary Activity Coefficient Prediction
Jan G. Rittig, Kobi C. Felton, Alexei A. Lapkin +1
We propose Gibbs-Duhem-informed neural networks for the prediction of binary activity coefficients at varying compositions. That is, we include the Gibbs-Duhem equation explicitly…
Economically viable CO2 electroreduction embedded within ethylene oxide manufacturing
Magda H. Barecka, Joel W. Ager, Alexei A. Lapkin
Electrochemical conversion of CO2 (CO2R) into fuels and chemicals can both reduce CO2 emissions and allow for clean manufacturing in the scenario of significant expansion of renewa…
Noisy, sparse, nonlinear: Navigating the Bermuda Triangle of physical inference with deep filtering
Carl Poelking, Yehia Amar, Alexei Lapkin +1
Capturing the microscopic interactions that determine molecular reactivity poses a challenge across the physical sciences. Even a basic understanding of the underlying reaction mec…