Centre for Advanced Computational Research, New Delhi, India

Centre: The Centre for Advanced Computational Research (CACR), based in New Delhi, India, was founded in April 2021, is a distinguished institution that is at the forefront of advancing knowledge and expertise in the realm of computational science. Our expertise encompasses analytical chemistry, the synthesis of organic and inorganic chemicals, pharmaceuticals, and bioinformatics. Endorsed by the Ministry of SME, Government of India, we are committed to promoting research and experimental development within the domains of natural sciences and engineering. Furthermore, our institution holds the ISO 9001:2015 Certification, reflecting our dedication to delivering exceptional hands-on training in computational science, including DFT calculations, molecular docking, and dynamics. Our research and development initiatives concentrate on extensive spectroscopic investigations of novel materials through advanced chemistry methodologies. We seek to examine their applications across a wide range, including organic light-emitting diodes (OLEDs), photovoltaics, catalysis, polymer design, and energy-based materials. Furthermore, our efforts encompass optoelectronic devices, non-linear optical activity, energy transfer mechanisms, and bioinformatics. Through these cutting-edge approaches, we make significant contributions to the advancement of technology and materials science.

​​

Currently, our organisation is under the leadership of Dr. Nikhil Aggarwal, who brings a wealth of knowledge and experience in the computational investigation of molecules, utilising various Density Functional Theory (DFT) approaches. Dr. Aggarwal earned his Ph.D. in Physical Chemistry from the prestigious Department of Chemistry at the Indian Institute of Technology (IIT) Madras in 2017, and he also holds both an M.Sc. and B.Sc. from the University of Delhi. With an impressive portfolio that includes five publications in highly respected international journals, such as those published by the American Chemical Society and Wiley, as well as a book published by Lambert Publishing House in Germany, Dr. Aggarwal has made significant contributions to the field. Furthermore, he was an active participant in the International Conference on Modern Computational Methodologies and Challenges held at the University of Washington, USA, in 2016. The organisation is supported by 15 external faculty members and 18 project students from prestigious research institutions in India and abroad, including IISC Bangalore, IITs, NITs, and CSIR Labs. We take pride in our faculty's active involvement in cutting-edge research projects and their substantial contributions to research publications. The Centre has installed two advanced workstations to further enhance our research activities. This infrastructure investment underscores our commitment to fostering innovative research and development.

​​

Training: We are actively committed to promoting computational science through online workshops and hands-on training in academic institutions and research industries. We take pride in being the first to offer hands-on training, both online and onsite, in quantum chemical calculations using Density Functional Theory (DFT) approaches. Our initiatives aim to equip participants with practical skills and knowledge in critical areas of research. By fostering collaboration and education, we strive to advance the field of computational science. We are proud to announce that in just 4 years, we have successfully trained over 5,000 graduate students, research scholars, professors, and industry experts from 36 countries, including the US, UK, Saudi Arabia, Mexico, Brazil, Malaysia, Kuwait, Germany, Peru, South Korea, India, Finland, Turkey, Iraq, Australia, Philippines, Spain, Jordan, Chile, Taiwan, South Africa, Pakistan, Nepal, Bangladesh, Nigeria, Morocco, Egypt, Sri Lanka, and Algeria, Singapore, Columbia, Sweden, Botswana, Belgium, Canada. Our efforts have garnered a rating of 4.76 out of 5.00 from more than 700 international and national participants in our previous workshops. This achievement reflects our commitment to providing high-quality training and education in computational chemistry. We look forward to continuing our mission of empowering individuals across the globe with valuable skills and knowledge.

​​

Centre has had the privilege of hosting five invited lectures by renowned computational chemistry researchers from prestigious research institutions. These sessions offered valuable insights and encouraged dynamic discussions on the latest developments in the field. We are dedicated to promoting knowledge exchange and collaboration within the scientific community.