Extending and Modifying LAMMPS Writing Your Own Source Code: A pragmatic guide to extending LAMMPS as per custom simulation requirements

Mubin, Shafat

ISBN 10: 1800562268 / ISBN 13: 9781800562264

Published by Packt Publishing, 2021

Special order direct from the distributor. Seller Inventory # ING9781800562264

Synopsis:

Understand the LAMMPS source code and modify it to meet your research needs, and run simulations for bespoke applications involving forces, thermostats, pair potentials and more with ease

Key Features

• Understand the structure of the LAMMPS source code
• Implement custom features in the LAMMPS source code to meet your research needs
• Run example simulations involving forces, thermostats, and pair potentials based on implemented features

Book Description

LAMMPS is one of the most widely used tools for running simulations for research in molecular dynamics. While...

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About the Author:

Dr. Shafat Mubin (PhD, Physics, Penn State) is an assistant professor of physics at Valdosta State University. Since his graduate student days, he has worked with molecular simulations using primarily LAMMPS and has investigated a variety of simulation systems employing a wide array of techniques. He possesses extensive experience in writing custom routines and extending the LAMMPS source code, and hosts his own website to instruct and demonstrate the same to other users. At present, he is engaged in computational physics research including molecular simulations, and endeavours to train undergraduate students in computational techniques to help them better prepare for careers in physics.

Jichen Li (graduated from Qingdao University of Science and Technology) is now studying for his master's degree at the University of Science and Technology of China. He used LAMMPS to conduct many molecular simulations to explore the relationship between polymer microstructure and macro mechanical and rheological properties. He developed several modeling and post-processing frameworks for LAMMPS and had a certain understanding of its program architecture. He dedicated to the community construction and wrote many columns and tutorials for LAMMPS starters. At present, he is working on the trans-scale simulation and the combination of deep learning and simulation.

Bibliographic Details

Title: Extending and Modifying LAMMPS Writing Your ...
Publisher: Packt Publishing
Publication Date: 2021
Binding: Soft cover
Condition: New