About Computational Chemistry Group
The Computational Chemistry Group (CCG) @ Computational Engineering and Networking (CEN) is a major research group of Amrita Unicersity, nurtured, guided and headed by Dr. P. K. Krishnan Namboori, focuses on research activities related to theory and computer simulation of chemical and molecular processes. The computational techniques range from ‘ab initio’ electronic structure methods through classical molecular simulation to mesoscale simulation. Our research activities spread mainly in the areas of nanotechnology, pharmaceutical engineering, drug design and delivery systems, biosynthesis, material science and Bio-soft computing. Our focus is on explaining practical phenomena in chemistry, biophysics, biomedical engineering, drug designing, biometrics, nanotechnology and material science through fundamental principles of quantum chemistry, molecular mechanics, thermodynamics and statistical mechanics.
In a small span of time, this group has emerged out as one of the major research groups of the university with sufficient number of publications in the national/international journals and conferences. Our regular training programs include:
- A summer school cum hands on project training of one and a half month's duration "AMRITA Insights Into Molecular Modeling and Simulation - AIMMS', meant for the P.G. / Research students of the areas such as Chemistry, Bioinformatics, Biotechnology, Microbiology, Nanotechnology, Biomedical Engineering and related areas.
- An exhaustive workshop cum training program for computational drug designing namely 'AMRITA Insight into Computer Aided Drug Design-AICADD' of one month duration meant for M.Pharm/ M.Sc (Pharmaceutical Science) and related areas. This program is arranged twice every year, AICADD-Summer and AICADD winter.
- The research group is involved in the AMRITA-Chicago collaboration projects (A collaborative initiative between Chicago University and AMRITA Vishwa Vidyapeetham) by providing the pharmacogenomic research activities.
- Major Academic Projects of 6 months - 1 Year Duration meant for the P.G Students.
- Ph.D Training - Research Projects
Our present facilities include :
- Supercomputing facility-GPU based CUDA
- High Performance Computational Hubs
- Computational nanotechnology laboratory
- Amrita Drug Designing database
- World class software
- Computerized Research Management System
- State of the art facility for modeling and simulation
Center for Excellence in Computational Engineering and Networking of Amrita School of Engineering, Coimbatore came to life on May 17th 2003. What initially began as a small group of people focused on research gradually blossomed into a strong center that apart from offering post graduate program, also began taking up challenging projects from various institutions like ISRO, BARC, DRDO and IT Ministry of India.
CEN believes that solving state of the art problems require a highly multidisciplinary background. Hence CEN is promoting a system view of problems where compartmentalized study is meaningless. Thus the course syllabus is highly multidisciplinary in nature. Faculties responsible for taking classes are also engaged in research projects. Hence 10% of the course syllabus is always based on the current projects that each faculty is currently working on. This not only provides a real life scenario for the students interested in research, but it also keeps them up-to-date with the current research problems and methodologies. Moreover, interested students are also given a chance to work on live projects in the final semester as a part of their major project. This not only provides valuable experience to the students, but it also helps in speeding up the research projects in the department.
By second semester, each student is encouraged to publish papers in national/international conferences/journals and workshops. The students are informed of the various conferences coming up and they can work with senior faculties in getting their papers published. This has ensured that each student has co-authored at least one paper at national/international level.
At CEN, the faculties encourage the students to be "thinkers, tinkerers and makers", so that they can tune their education to the needs of the society. Students are made to bound with innovative and live modern experiments (which uses fundamental principle of science). CEN ensures that students are trained to participate in research activities and at least one publication as research contribution.