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 ...

More than 100 experts in molecular simulation, coordinated by IRB Barcelona, have published an article in Nature Methods ...

Daggett has been applying simulations on a large scale to try to obtain new insights ... her team has been building up a database of molecular dynamics simulations of the native states and high ...

Vibrational sum-frequency generation (VSFG) is a nonlinear spectroscopic method widely used to investigate the molecular ...

Water-induced depolymerization enhances fluid mobility in deep Earth, offering new insights into magma transport and isotope signatures in arc lavas.

The molecular basis of fluid mechanics. Theory of Stokes-flow. Examples of fluid phenomena described by low Reynolds numbers. Electrokinetic phenomena and the physics of charged interfaces. Brownian ...

Stimuli responsive flows in angstrom-channels This session will explore how electromagnetic fields, pH, temperature, pressure and chemical gradients influence molecular transport dynamics at this ...

More than a hundred experts in molecular simulation have published a paper in the journal Nature Methods calling for a paradigm shift in molecular dynamics data management.