Online Workshop on GROMACS
Training Program on GROMACS Molecular Dynamics MD Menu All Events Upcoming Events Past Events Testimonials Request For Collaboration Two-Week Online Workshop on GROMACS Introduction to Molecular Dynamics Register Now Date 08 – 19 Sept 2025 Time 07.30 pm IST About the Workshop This two-week online hands-on training on GROMACS is designed to provide participants with comprehensive knowledge and practical experience in molecular dynamics (MD) simulations. The workshop covers a wide range of topics—from fundamental concepts of MD and high-performance computing (HPC) to advanced simulations involving protein-ligand, membrane-protein, metal complexes, and nanomaterial interactions. Participants will gain hands-on experience using GROMACS tools, simulation setup, data analysis, and visualization techniques. The program also introduces web-based resources like CHARMM-GUI and covers workflows for real-world biomolecular systems. This workshop is ideal for students, researchers, and professionals from chemistry, biology, physics, and computational sciences seeking to enhance their skills in molecular simulation. Target Audience Students, Researchers and faculty members of Biology, Chemistry, Physics and material science Key Topics: Introduction to MD Simulations Installation & Workflow Analysis and Visualization Protein-Ligand Simulations Protein-Metal Complex/Nanomaterial Simulations Features Step-by-step Simulation Workflows Assignments and Practical Exercises Recordings will be available. eCertificate will be provided Recording for Future Referenece All live sessions will be recorded and made available to participants for future reference and continued learning. Course Completion Certificate At the end of the workshop, participants will receive an e-certificate of completion. Course Plan Please download the course plan and Brochure from the links provided below. Download Now Schedule Two-Week Workshop on GROMACS Day & Time Session Topics Link Day 1, 07.00 pm Introduction: Background Theory Introduction: Basic concepts in electrochemistry polarizable and non-polarizable electrodes, electrical double layer models, Nernst equation Electrochemical Techniques: Voltammetry, Amperometry, Potentiometry and Impedance spectroscopy Day 2, 07.00 pm Electrochemical Impedance Spectroscopy The Bode Plot The Nyquist Plot How EIS data is used Day 3, 07.30 pm Demonstration of CV Workstation Demonstration of CV Workstation Day 4, 07.30 pm Batteries & Supercapacitors: Introduction Applications of energy storage Energy storage technologies Trends in energy storage Advanced materials and technologies for supercapacitors Day 5, 07.30 pm Batteries: Measurement and Data analysis Performance indicators Data analysis Day 6, 07.30 pm Supercapacitors: Measurement and data analysis Performance indicators Day 7, 07.30 pm Electrocatalysis Introduction to Electrocatalysis Hydrogen Evolution Reactions (HER) Oxygen Evolution Reactions (OER) Day 8, 07.30 pm Measurement and Data analysis of electrocatalysis Performance indicators Day 9, 07.30 pm Doubt-Clearing Session Doubt-Clearing Session Resource Person Github Linkedin Facebook Google-plus Dr. P Muhammed Shafi Deptment of Physics, National Institute of Technology Calicut Github Linkedin Facebook Google-plus Dr. Yoganandan Govindraj Hokkaido University, Japan Github Linkedin Facebook Google-plus Github Linkedin Facebook Google-plus Registration Registration Fee Rs. 3000 Rs. 2500 (for HPC) Register Now Registration Fee For Indian Participants: Rs. 3000Foreign Participants: USD 50 SIAS Research Forum MembersStudent Member: Rs. 2700Faculty Member: Rs. 2400 HPC Charge: Rs. 2500 (optional) Feedback from the participants We will update this part after the compltion of the workshop!