Articles tagged with: Molecular Dynamics

[ Dec 6 2017 - 12:27 pm ]

In 2017, the Oak Ridge Leadership Computing Facility celebrated 25 years of leadership in high-performance computing. This article is part …

[ Dec 6 2017 - 12:27 pm ]

In 2017, the Oak Ridge Leadership Computing Facility celebrated 25 years of leadership in high-performance computing. This article is part …

[ Oct 31 2017 - 12:01 pm ]

OLCF researcher Ada Sedova brings together pillars of science in her work.

[ Aug 25 2017 - 3:23 pm ]

University of Illinois researchers simulate key protein to combat multidrug resistance in cancer cells.

[ Mar 28 2017 - 9:34 am ]

In 2016, the OLCF introduced a new runtime framework that allows users of hybrid systems—such as the OLCF’s 27-petaflop Titan—to better exploit GPU-accelerated architectures.

[ Jun 14 2016 - 10:56 am ]

A Cornell-led research team is using Titan to study cells’ sodium-powered neurotransmitter transporters in atomistic detail

[ Feb 16 2016 - 12:45 pm ]

To better understand lignin, a problematic molecule for next-generation biofuel production, a team from ORNL created one of the largest biomolecular simulations to date—a 23.7-million atom system representing pretreated biomass in the presence of enzymes.

[ Feb 16 2016 - 12:45 pm ]

A University of Tennessee-Oak Ridge National Laboratory research team is using Titan to gain a better understanding of why experimental biofuel pretreatments work—a measure that helps guide research into cost-effective cellulosic ethanol.

[ Oct 14 2014 - 3:36 pm ]

A team of researchers, led by Oak Ridge National Laboratory’s Pratul Agarwal, is seeking to obtain key insights into the fundamental underpinnings of how enzymes work and, in particular, what makes them such great catalysts.