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Updated in [September 05th, 2023]

Skills and Knowledge Acquisition:
1. LAMMPS Structure: Gain proficiency in navigating various LAMMPS case files and directories, enabling you to work with common LAMMPS simulations effectively.
2. Commands and Functions: Explore the most common commands, fixes, and LAMMPS functions used to control simulations, offering the capability to simulate a wide range of scenarios, from crystal stress analysis to enzyme folding.
3. Complex Molecule Modeling: Understand how complex molecules are assembled using classical mechanics-based molecular dynamics simulations. Explore the specific formats and techniques employed by LAMMPS for modeling complex molecular systems.
4. Fundamentals of Molecular Dynamics: Demystify the core principles of molecular dynamics, making them accessible and comprehensible, provided you possess at least an undergraduate-level background in atomic science.

Contribution to Professional Growth:
- Acquire practical skills in LAMMPS simulation, which are highly valuable in research, academia, and industries involving molecular dynamics, such as materials science and biophysics.
- Expand your career prospects by becoming proficient in a specialized field with growing demand for skilled professionals.
- Enhance your problem-solving abilities and analytical skills, critical for success in complex scientific endeavors.
- Access foundational knowledge that serves as a springboard for more advanced studies and research in the field of molecular dynamics.
- Develop confidence in working with LAMMPS and simulating various molecular scenarios, setting you on the path to contributing to cutting-edge research and innovation.

Suitability for Preparing Further Education:
- Ideal for individuals aspiring to pursue advanced studies or research in molecular dynamics, computational chemistry, or related fields.
- Provides a solid foundation in LAMMPS simulation, a valuable skillset for academic research and laboratory work.
- Equips learners with the essential knowledge needed to explore advanced topics and methodologies in molecular dynamics simulations.
- Serves as a bridge course for individuals seeking to transition from an undergraduate-level understanding of atomic science to more specialized fields in molecular dynamics.

Course Syllabus

Introduction

Case 1: LAMMPS Case Structure, Principles of Molecular Dynamics

Case 2: Fluid Flow in LAMMPS

Case 3: Deposition and a First Look at Molecules

Final Case: Peptides and Defining Complex Molecules in LAMMPS

Course Conclusion