Chemical reactions are often modeled as continuous differential equations with reaction rates related to chemical concentrations (law of mass action). As many have pointed out (e.g., Gillespie, Lok, ...

The future of chemistry is in the hands of technology. With the help of emerging technologies, scientists can perform unprecedented feats of discovery and innovation. One such technology is called ...

Researchers have performed the first ever quantum-mechanical simulation of the benchmark ultracold chemical reaction between potassium-rubidium (KRb) and a potassium atom, opening the door to new ...

Simulation of chemical bonds and reactions is expected to be one of the first applications for at-scale quantum computers. Physicists have now demonstrated the world-first simulation of a chemical ...

Dublin - Research and Markets (http://www.researchandmarkets.com/research/6601ae33/modeling_and_simul) has announced the addition of John Wiley and Sons Ltd's new ...

(Nanowerk News) NEC Corporation announced that it succeeded in the world's first simulation-based prediction of laser-induced photochemical reactions that can efficiently eject a hydrogen atom from a ...

Managing the overwhelming numbers of molecular states and interactions is a fundamental obstacle to building predictive models of biological systems. Here we introduce the Network-Free Stochastic ...