Biochemical models that exhibit bistability are of interest to biologists and mathematicians alike. Chemical reaction network theory can provide sufficient conditions for the exist...
We present an approach to reconstructing chemical reaction networks from time series measurements of the concentrations of the molecules involved. Our solution strategy combines t...
We introduce a new variant of the dissipative particle dynamics (DPD) model that includes the possibility of dynamically forming and breaking strong bonds. The emergent reaction ki...
Gianluca Gazzola, Andrew Buchanan, Norman H. Packa...
We present a novel simulation tool to study fluid mixtures that are simultaneously chemically reacting and adsorbing within a molecularly porous material. The method is a combinat...