About the Programme
B.Sc. Computational Chemistry is the undergraduate degree program to understand chemical properties using computational methods. It will develop an in-demand skill set combining a technical understanding of chemistry with expertise in computers and computation. This program will prepare students to work on the leading edge of this emerging field. The knowledge and expertise gained could support advancements in any branch of chemistry, with career opportunities rapidly expanding in the design of new drugs and materials. This course cover computer-aided drug design, quantum chemistry, and molecular modeling and simulation.
Programme Educational Objectives (PEO)
- PEO-1: To produce graduates having a strong background of basic science, mathematics & computational chemistry to use the knowledge and tools.
- PEO-2: To produce graduates who can demonstrate technical competence in the field of computational chemistry and develop solutions to the complex problems.
- PEO-3: To produce graduates having professional competence and skills in the field of computational chemistry to serve the society globally.
- PEO-4: To produce graduates who function effectively in a multi-disciplinary environment within asocietal and environmental context.
- PEO-5: To produce graduates who would be able to take individual responsibility and work as a part of a team towards the fulfillment of both individualand organizational goals.
Program Outcomes (PO’s)
Science Graduates will have:
- Knowledge: Describe the fundamental scientific principles and apply the knowledge of basic sciences and computational chemistry to find the solution of problems emerging from broader interdisciplinary subfields.
- Problem analysis: Identify, formulate, review research literature, and analyze complex problems reaching substantiated conclusions using principles of sciences and computational chemistry.
- Design/development of solutions: Design experiments that meet the specific needs with appropriate consideration for the public health and safety, and the cultural, societal, and environmental considerations.
- Conduct investigations: Conduct laboratory experiments safely, use research-based knowledge, analysis and interpretation of data, and synthesis of the information to provide valid conclusions.
- Modern tools usage: Select, apply appropriate techniques, resources, and modern software and ICT tools including prediction and modeling to complex scientific activities with an understanding of the limitations.
- Environment and sustainability: Understand the impact of the professional scientific solutions in societal and environmental contexts, and demonstrate the knowledge and need for sustainable development.
- Ethics: Apply ethical principles and commit to professional ethics and responsibilities and norms of the scientific practices.
- Individual and team work: Function effectively as an individual, and as a member or leader in diverse teams.
- Communication: Communicate effectively on complex scientific activities with community and with society at large, such as, being able to comprehend and write effective reports and design documentation, make effective presentations.
- Project management: Demonstrate knowledge and understanding of the chemical and biochemical principles and apply these to one’s own work, as a member and leader in a team, to manage projects and in multi-disciplinary environments.
- Life-long learning: Recognize the need for, and have the preparation and ability to engage in independent and life-long learning in the broadest context of technological changes.
Program Specific Outcomes (PSO)
- PSO1: Utilize theoretical and practical expertise in chemical sciences to successfully prepare various national and international competitive examinations. 
- PSO2: Apply theoretical and practical knowledge of chemical sciences to address real-world challenges in industries such as healthcare, environmental science, materials science, and consumer products, promoting sustainability and societal well-being.