Kanya Maha Vidyalaya- the Heritage & Autonomous institution, Seat of Women Empowerment with Top National and State Rankings by India Today Survey of Best Colleges 2020 (various categories) & Outlook Magazine organised e-workshop on Argus Lab under DBT Star College Scheme for undergraduate and post graduate students. The workshop was organised by the PG Department of Chemistry. More than 225 students and 35 faculty members joined the workshop. This e-workshop provided an opportunity to get hands on training on the ARGUS LAB, important software in the field of Computational Chemistry. The eminent resource person for the workshop was Dr. Smriti Sharma Bhatia, Assistant Professor, Department of Chemistry, Miranda House, University of Delhi.  In her lecture, Dr. Bhatia highlighted the important role of computational chemistry in designing more productive and efficient processes, characterizing new compounds and materials, identifying sites on protein molecules that are most likely to bind a new drug molecule. She also highlighted the involvement of computational chemistry to design a new drug using various softwares to reduce the quantity of experiments in lab, saving the wastage of chemicals, money and time during this current pandemic COVID-19 situation. The students were demonstrated to design and optimise different molecules to find out stable conformations and to calculate their energies. Participants were fascinated to learn about 3D visualisation of various chemical reactions to bind a newly developed drug into the receptor protein chains. During interactive session students showed a keen interest to learn more about these softwares. Principal Prof. Dr Atima Sharma Dwivedi lauded the efforts taken by Dr Manju Sahni, Head, PG Department of Chemistry for conducting the workshop very efficiently. She averred that KMV from time to time keeps on organising such workshops in order to enhance the scientific aptitude of the students.