2 papers
cond-mat.soft2019
Diffusion-influenced reaction rates in the presence of pair interactions
Manuel Dibak, Christoph Fröhner, Frank Noé +1
The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a p…
physics.chem-ph2018
Reversible Interacting-Particle Reaction Dynamics
Christoph Fröhner, Frank Noé
Interacting-Particle Reaction Dynamics (iPRD) simulates the spatiotemporal evolution of particles that experience interaction forces and can react with one another. The combination…