Media resources from the lab of Prashant Jain

These DNA molecular visualizations were created for the multifaceted 'DNA' project, celebrating the 50th anniversary in 2003 of the discovery of the double helix.

A paper of ACS Nano describing the controlled motion of DNA with heat

A service of the American Chemical Soceity describing recent breakthroughs related to chemical sciences

These DNA molecular visualizations were created for the multifaceted 'DNA' project, celebrating the 50th anniversary in 2003 of the discovery of the double helix.

This work describes one implementation of multi-scale computations using the Atomistic Simulation Environment (ASE). This implementation can mix classical codes like LAMMPS and the Density Functional Theory-based GPAW.

This paper discusses recent efforts to implement the MS-EVB model in the scalable LAMMPS MD code, and to further improve parallel scaling by implementing MP parallelization algorithms in LAMMPS.