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External Faculty
Welcome to the Centre for Advanced Computational Research, a distinguished institution that is at the forefront of advancing knowledge and expertise in the realm of computational science. Currently, our organization is under the leadership of Dr. Nikhil Aggarwal, who brings a wealth of knowledge and experience in the computational investigation of molecules, utilizing various Density Functional Theory (DFT) approaches. Dr. Aggarwal earned his Ph.D. in Physical Chemistry from the prestigious Department of Chemistry at 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. We invite you to join us as we delve into innovative methodologies and explore the challenges that define the exciting field of computational research. In 2021, our research initiatives saw significant growth with the addition of fourteen vibrant researchers, each contributing their extensive knowledge and specialization from diverse disciplines. These skilled professionals are involved in a wide range of innovative industrial and academic research projects that foster and inspire groundbreaking discoveries in the field. Our External Faculty is committed to establishing an exceptional scientific research environment that supports our participants, ensuring they have access to top-notch resources and guidance throughout their experience with us.

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