13 citations · 17 across the 2 of their papers we have counts for
2 papers
cs.LG2023★ 4 cited
Machine Guided Discovery of Novel Carbon Capture Solvents
James L. McDonagh, Benjamin H. Wunsch, Stamatia Zavitsanou +5
The increasing importance of carbon capture technologies for deployment in remediating CO2 emissions, and thus the necessity to improve capture materials to allow scalability and e…
physics.chem-ph2016★ 13 cited
Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed
Flaviu S. Cipcigan, Vlad P. Sokhan, Jason Crain +1
One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heter…