Chapter 7 - Applications of BIOVIA Materials Studio, LAMMPS, and GROMACS in Various Fields of Science and Engineering

Abstract

To give the readers an insight into the areas of application of BIOVIA Materials Studio, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), and Groningen Machine for Chemical Simulation (GROMACS), this chapter reviews the excellent work that has already been done in various fields of science and engineering using these tools. The chapter starts with applications of BIOVIA Materials Studio. Each of the tools used in BIOVIA Materials Studio such as quantum tools, classical simulation tools, mesoscale simulation tools, statistical tools, and analytic and crystallization tools has been discussed in detail. This is followed by a review of the interesting works done by various researchers in their field using LAMMPS and GROMACS. The readers are suggested to go through the references given at the end of this chapter for details.