60 citations · 128 across the 6 of their papers we have counts for
6 papers
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…
Energy efficient ethanol concentration method for scalable CO electrolysis
Magda Barecka, DS Pritika Dameni, Marsha Zakir Muhamad +2
Vacuum membrane distillation efficiently concentrates dilute ethanol streams produced by CO electrolysis (CO2R), yielding up to ~40 wt.% ethanol in pure water. Our results allo…
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…
Interpretation of the vibrational spectra of glassy polymers using coarse-grained simulations
Rico Milkus, Christopher Ness, Vladimir V. Palyulin +3
The structure and vibrational density of states (VDOS) of polymer glasses are investigated using numerical simulations based on the classical Kremer-Grest bead-spring model. We foc…
Response of Timepix detector with GaAs:Cr and Si sensor to heavy ions
S. M. Abu Al Azm, G. Chelkov, D. Kozhevnikov +5
The response of the Timepix detector to neon ions with kinetic energy 77 and 158.4 MeV has been studied at the cyclotron U-400M of the JINR Flerov Laboratory of Nuclear Reaction. S…