(Registered under the Ministry of SME, Government of India: Research and Experimental Development on Natural Sciences and Engineering)
ISO 9001:2015 Certification: Accredited by United Ackreditering Services Limited, United Kingdom
External Faculty
Currently, the organization is headed by Dr. Nikhil Aggarwal with research expertise in the computational investigation of molecules via various Density Functional Theory (DFT) approaches. Dr. Nikhil Aggarwal obtained his Ph.D. in Physical Chemistry from the Department of Chemistry, IIT Madras in 2017, and his M.Sc. & B.Sc. from the University of Delhi. To his credit, there are five publications in the Journal of International repute including American Chemical Society and Wiley. He has also published a book in Lambert Publishing House, Germany. He participated in the International Conference on Modern Computational Methodologies and Challenges at the University of Washington, United States of America, in 2016. In 2021, the center's research activities gained huge momentum with the joining of four more dynamic Researchers with expertise in various disciplines of computational chemistry who are actively working on Industrial and academic scientific research projects.The goal of the Centre's External Faculty is to provide the best scientific research ecosystem in computational chemistry and physics.
Dr. Sasikumar Mayarambakam
Post Doctorate, University of Tours, France
Ph.D. Awarding Institute: CSIR-Indian Institute of Chemical Technology(CSIR-IICT)
Research Area: Design, Synthesis, and Characterization of Conjugated Polymers as Dopant Free Hole Transporting Material for Perovskite Solar Cells and Thermoelectric applications.
Dr. Yara E. Mansour
Assistant professor, Pharmacy, Helwan university, Helwan, Cairo
Ph.D. Awarding Institute: Helwan university
Research Area: Pharmaceutical Organic Chemistry
Dr. Alaa J Mahrath
Professor, College of Medicine /Chemistry & Biochemistry Department, Babylon University, Iraq
Ph.D. Awarding Institute: College of Science /University of Babylon
Research Area: Synthesis of natural products in lab , Extraction of bioactive materials from plants or herbs and studies their effects on rats , isolation of natural products and full characterization with UHPLC , GC , FT.IR and Mass spectra
Dr. Nigel Jalsa
Associate Professor, Science and Technology, The University of the West Indies, Trinidad and Tobago
Ph.D. Awarding Institute: The University of the West Indies
Research Area: Synthetic Organic Chemistry, Green Chemistry
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Dr. Madhusudana Reddy MB
Professor, REVA University, Karnataka, India
Ph.D. from: Bangalore University
Research Interest: Synthesis and biological evaluation of new heterocycles
Dr MD Noushad Javed
Assistant Professor. KR Mangalam University, Delhi NCR, India
Ph.D. Awarding Institute: Jamia Hamdard
Research Area: Nanomedicines, Nanoparticles, Drug Delivery, Nutraceuticals
Dr. Pragya Gahlot
Assistant Professor, University of Delhi,
Ph.D. Awarding Institute: University of Delhi
Research Area: Computational Chemistry, Molecular modelling
Dr Smriti Sharma Bhatia
Associate Professor, Miranda House, University of Delhi, India
Ph.D. Awarding Institute: University of Delhi
Research Area: Drug design of antidiabetic drugs
Dr. Sunshine Dominic Kurbah
Assistant Professor, Pandit Deendayal Upadhyaya Adarsha Mahavidyalaya, Assam
Ph.D. Awarding Institute: North Eastern Hill University Shillongn
Research Area: Supramolecular Chemistry, Molecular Assembly, Non Covalent Interactions
Dr. Naorem Shubhaschandra Singh
Assistant Professor(Sr), Dhanamanjuri University, Manipur, India
Ph.D. Awarding Institute: Manipur University Canchipur
Research Area: polymer-surfactant interaction, polymer-iodine complexation and their Computational studies
Dr. Poonam Bansal
Assistant professor, Maharishi Markandehwar (Deemed to be University), India
Ph.D Awarding Institute: Kurukshetra University kurukshetra
Research Area: characterization of probiotics strain. I also worked on purification and characterization of enzyme. Moreover, I am interested in bioinformatics work also during my ph.d. research I also worked on NGS analysis and I had a few papers on docking studies also.
Dr. Poonam Hariyani
Assistant Professor, JECRC University Jaipur, Rajasthan, India
Ph.D Awarding Institute: University of Kota, Kota
Research Area: Supramolecular Chemistry is a subject of considerable interest because of its implications in many fields such as chemistry, biology, medicine and environmental studies.
Dr. Maheshwar Singh Thakur
Assistant Professor, St. Bede's College Shimla affliated to Himachal Pradesh University Shimla
Ph.D Awarding Institute: CSIR-Institute of Himalayan Bioresource Technology Palampur
Research Area: Catalysis, Nanomaterial, Green Synthesis
Dr. S. Sukumari
Associate Professor, Fatima College (Autonomous), Madurai, Tamil Nadu, India
Ph.D Awarding Institute: Madurai Kamaraj University
Research Area: Supramolecular Chemistry, Photophysical studies of cyclodextrin inclusion complexes
Potential Collaborators
Dr. C. Roumana
Assistant Professor, Department of Physics, Government Arts College (Autonomous), Salem
Research Experience: Ultrasonics and Spectroscopy
Dr. Parameswari Akshinthala
Assistant Professor, Humanities and Sciences (Chemistry), MLR Institute of Technology, Hyderabad
Ph.D. from Indian Insititute of chemical technology
Dr. Geeta Arora Durga
Professor, Professor|Chairperson CCDC, Sharda University
In research, my team is working to develop the area of organic optoelectronic materials for various applications. We synthesize perylene-based organic moieties for different applications. Our team is also experienced in synthesizing the CQDs for WLEDs and biological applications.
Dr. Thomas V. Mathew
Assistant Professor at St. Thomas College, Palai
Research Experience: Catalysis
Dr. HAMZA ALSHEHRI
King Khalid Military Academy
Research Experience: Interface Chemistry
Project Interns
Candidates from various institutions from across the globe are actively working as interns on 10 different Computational Chemistry Projects.
In order to strengthen your profile so as to have better opportunities in your career, i.e., for jobs or for higher studies you need to have good publications under your belt. The only program since 2021 which is fulfilling this need is the Research Project Training Program of the Centre of Advanced Computational Chemistry Studies which is of novel research projects on the latest technologies of Computational Chemistry. In this program, we implement the current research trend and apply unique ways of teaching plus practical application to make you learn in the best possible way. After the successful completion of the project, it will be submitted for international publication by the names of the people who will work on this project.
Abhishek Saini
M.Sc. Medicinal and Biological Chemistry, The University of Edinburgh
Group 1: Density Functional Theory studies of Berbernie based Molecules for Applications in Opto-electronic Devices.
Franz Fernández
Researcher Scholar, National University of San Marcos, Peru
Group 2: Density Functional Theory studies of MAMC based Molecules for Applications in Opto-electronic Devices.
Pulkit Dhankhar
Student, NIT Tiruchirappalli, Tamil Nadu, India
Group 5: Density Functional Theory Studies of azo-based dye for Applications in Opto-electronic Devices.
Akanksha Sharma
M.Sc. Chemistry, IIT BHU
Group 4: Density Functional Theory Studies of Gold functionalized dye for Applications in Opto-electronic Devices.
Harveer Singh
Research Scholar, IIT Patna
Group 2: Density Functional Theory studies of MAMC based Molecules for Applications in Opto-electronic Devices.
Saleem Akbar
Research scholar, School of pharmaceutical education and research, Jamia Hamdard
Group 4: Density Functional Theory Studies of Gold functionalized dye for Applications in Opto-electronic Devices.
Anuska Chakraborti
B. Sc, Student
Group 3: Density Functional Theory studies of C307 & C522B Molecules for Applications in Opto-electronic Devices.
Shagul Hameed k
Research Scholar, University of Madras, Chennai, India
Group 5: Density Functional Theory Studies of azo-based dye for Applications in Opto-electronic Devices.
Manan Kothari
M.Sc. Chemistry, IIT Palakkad
Group 2: Density Functional Theory studies of MAMC based Molecules for Applications in Opto-electronic Devices.
Sneha Dey
B.Sc. (graduated), University of Calcutta
Group 1: Density Functional Theory studies of Berbernie based Molecules for Applications in Opto-electronic Devices.
Surajit Sarkar
PhD. Research Scholar
IISc Bangalore, Karnataka, India
Sayan Dutta
M. Sc.
Indian Association for the Cultivation Of Science
Kushal Chakraborty
Research Scholar
Korea national University of Transportation
Deepika
Student
IIT Madras
Nabin Basnet
Research Scholar
Central Department of Chemistry, Tribhuvan University/ Damak Multiple Campus, Tribhuvan University, Nepal
Susantha Kumara Ganegamage
Research Scholar
US
Snehlata Katheria
Ph.D. Chemistry
Lucknow University
Sourav Sutradhar
Research Scholar
National Institute of Technology, Silchar
Suhail Ahmad
M. Sc.
HNB Garhwal University
Arshi khan
Research Scholar
Aligarh Muslim university, UP , India
Gulshan Kumar
Research Scholar
Thapar Institute of Engineering & Technology Patiala, Punjab, India
Jai Parkash
Research Scholar
Kurukshetra University, Kurukshetra, India
Shekhar
Research scholar
Indian Institute of Science Bangalore
Vajiha
Student
Vignan University
Easam Ram Kishore Kumar Dora
PhD scholar
NIT Warangal