A workshop organized by NYRO Research India was recently conducted at Indian Institute of Space Science and Technology (IIST)in Thiruvananthapuram, providing students and researchers with valuable exposure to advanced molecular simulation techniques. The program was conducted by Shri. Sreejit Soman, application scientist, Nyro Research. The workshop focused on promoting scientific research, innovation, and practical learning of molecular simulations and modelling. Experts from NYRO Research India shared insights on research methodologies, project development, and the importance of interdisciplinary collaboration. Participants were introduced to various tools for molecular modeling and Monte Carlo simulations. Interactive discussions, demonstrations, and question-and-answer sessions made the workshop highly engaging. The workshop concluded with positive feedback from attendees, who appreciated the opportunity to learn directly from experts in the field. Events like this help strengthen students' research culture and inspire the next generation of scientists and innovators.