Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...

Living cells are bustling with molecular machines that constantly process energy, matter, and information. Among these ...

Each day, a human adult loses on average 50 to 70 billion cells, which die from natural causes alone. New cells replace lost ...

John Polanyi University of Toronto Awarded for his seminal contributions in advancing understanding of molecular reaction dynamics in the gas phase and at the gas-surface interface. 2007 Professor ...

Nonequilibrium means that the rates of fundamental processes (such as chemical reactions) are too slow to allow the ... Particle In Cell, molecular dynamics), to continuum methods (Computational Fluid ...

Researchers have developed a novel ternary electrolyte system combining ionic liquids (ILs) with water-in-salt (WIS) ...

In the theoretical and computational field our work is focused on applying state-of-the-art ab initio calculations to problems in both spectroscopic and surface science research, including the study ...

For breakthroughs in catalysed non-equilibrium systems, particularly molecular ratchet mechanisms, that have provided fundamental insights into the dynamics of matter ... to accelerating or driving ...