Sentences with phrase «dynamics simulations run»

The simulations were density - functional theory - based molecular dynamics simulations run on a powerful computing system known as NWIce at EMSL.

Not exact matches

Using a molecular dynamics code called NAMD, the team ran simulations of the wild lignin and the genetically modified lignin in a water cube, modeling the presence of the aldehydes by altering the partial charges of the oxygen and hydrogen atoms on the modified lignin's allylic site.

Due to having many calculations for each atom's structure and computationally demanding molecular dynamics calculations, the team keeps its simulations relatively small in scale — the team's largest runs typically have between 200 - 250 atoms in the simulation.

They ran independent molecular dynamics (MD) simulations for each of those 87 compounds and computed critical information about the flexibility of each compound once in the ERK2 pocket.

Co-lead author Jiawang Hong, a postdoctoral fellow working with Delaire, ran quantum dynamics simulations at the OLCF using Eos, a Cray XC30 supercomputer.

The SEMA Hardware - in - the - Loop system is a collaborative effort with dSPACE, Inc., based in Wixom, Mich. and running with CarSim vehicle dynamics simulation software from Mechanical Simulation, Inc., based in Ann Arbor, Mich..

Moreover, when we run long - term simulations that go through today, we see some of the same dynamics we observed several years ago.

Players interact with environments that run an advanced fluid dynamics simulation needed to solve puzzles, overcome enemies, and progress through many unique levels.

In Shooter Ultimate, players interact with environments that run an advanced fluid dynamics simulation needed to solve puzzles, overcome enemies, and progress through many unique levels.