By combining the widely used molecular dynamics and visualization programs NAMD and VMD with the quantum chemistry packages ORCA and MOPAC, we created an integrated, comprehensive, customizable ...

On today’s episode of “The Interview” with The Next Platform, we take a look at the evolution of the NAMD molecular dynamics and how the introduction of GPU computing upended performance expectations ...

To model the stratum corneum for the project, the researchers used the LAMMPS and NAMD molecular dynamics codes. With NAMD able to simulate biological systems in full atomistic detail and LAMMPS ...

Scientists used Nanoscale Molecular Dynamics (NAMD), which is a molecular dynamics code specifically designed for supercomputers. It’s used to simulate the movements and interactions of large ...

the workshop showcased expertise from the renowned developers of NAMD and VMD. Participants were provided an in-depth dive into advanced molecular dynamics simulations, nanotechnology simulations ...

Since 1998, he has been the lead developer of NAMD, a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems that scales beyond 200,000 cores, and is ...

"We did an extensive set of molecular dynamics simulations and experiments ... primarily all-atom simulations using the NAMD software developed at the University of Illinois at Urbana Champaign ...

When it comes to special-purpose supercomputing, the go-to example is the Anton supercomputer architecture, a custom system dedicated to the task of solving (and dramatically speeding) complex ...