Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations

Por Dong, Dengpan, Zhang, Weiwei, Barnett, Adam, Lu, Jibao, van Duin, Adri C. T., Molinero, Valeria, Bedrov, Dmitry
Publicado no Polymers (Basel) (2018)

Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions

Por Cisneros, Gerardo Andrés, Wikfeldt, Kjartan Thor, Ojamäe, Lars, Lu, Jibao, Xu, Yao, Torabifard, Hedieh, Bartók, Albert P., Csányi, Gábor, Molinero, Valeria, Paesani, Francesco
Publicado no Chem Rev (2016)