Welcome to the Advanced Molecular Dynamics workshop where you can learn both the concepts and application of molecular dynamics simulation from the top experts of the field. Scope of the workshop captures molecular dynamics simulations, enhanced sampling methods and QMMM simulations. The workshop is jointly organized by the Department of Chemistry, IISER Pune, Department of Physics, and the Green Club of Thoughts, Kathmandu University. We are offering specialized classes, hands on tutorial sessions and guest lectures from experts of the field. Checkout our guest speakers section.
Whether you are a graduate student, young researcher or early career faculty, you can benefit from our two weeks workshop. In the first week, you can learn basics of LINUX OS, software installation, virtual machine, HPC architecture, data visualization and other necessary trainings such that you are ready for advanced MD school. The second week is focused on advanced MD simulations, post-processing and several analysis methods. The morning session of the second week will consist of lectures on the basic principles and methodologies followed by a special lecture covering experimental and theoretical aspects of MD simulations. The afternoon sessions will consist of hands-on tutorial sessions where the participants will do simple and advanced calculations using the GROMACS and CHARMM. Each day will conclude with Guest lectures delivered by field experts which will further enrich your understanding about scope of MD simulations. We are also offering access to HPC facilities (both CPU and GPU) for following month to familiarize and train yourselves with the concepts taught in the school.