Chemical Sciences
Research Agricultural
Total number of Record(s): 2041
| Title | Principal Investigator | Start Year | Funding Agency | Focus Area |
|---|---|---|---|---|
| Computational investigations towards designing of main group & transition metal based systems for Dinitrogen activation | Prof. A.K. Phukan Tezpur University Napaam Assam | 2020 | Department of Science and Technology (DST) | Science & Engineering Research Board - Core Research Grant (SERB-CRG) |
| Computational modeling of novel polyphenolic antioxidant molecules as potential drug | Dr. R. Kar Assistant Professor Dibrugarh University National Highway Assam | 2020 | Department of Science and Technology (DST) | Science & Engineering Research Board - Core Research Grant (SERB-CRG) |
| Computational modeling, design and strength analysis of adaptive micro porous materials with controlled properties | Dr. Amirtham Rajagopal, Associate Professor, Indian Institute of Technology (IIT), Hyderabad, Kandi, Telangana | 2017 | The Russian government | Micro porous materials |
| Computational prediction of novel thermoelectric nanomaterials | Dr. Chandan Bera, Scientist C, Institute of Nano Science and Technology (INST), Mohali, Punjab | 2017 | Science and Engineering Research Board (SERB), Department of Science & Technology (DST), Government of India | NA |
| Computational prediction of possible nCoV-19 structural proteins inhibitors from Azadirachta indica (Neem) Five potential compounds screened for CL-3 protease protein of nCov19 | Prof Manidipa Banerjee, Indian Institute of Technology (IIT) Delhi | 2020 | Computational prediction of covid structural protein | |
| Computational Studies of intermolecular interactions understanding the mecahnism of fouling of polymeric membranes in water treatment using molecular Dynamics simulations and DFT methodologies | Dr. Bhanuprakash Kotamarthi, Scientist. Department of Inorganic and Physical Chemistry, Indian Institute of Chemical Technology (IICT), Hyderabad, Telangana | 2016 | Science and Engineering Research Board (SERB), Department of Science & Technology (DST), Government of India | Water treatment |
| Computational studies on charge transfer & hole migration dynamics in functionalized bimetallic nanocluster | G. Periyasamy, Assistant Professor, Bangalore University | 2019 | Department of Science and Technology (DST) | Functionalization effects optimisation |
| Computational study of the catalytic mechanisms of some Diaryldiselenide based Glutathione peroxidase mimetics | Dr. Raghu Nath Behera, Associate Professor, Department of Chemistry, Birla Institute of Technology & Science (BITS), Zuarinagar, Goa | 2016 | Science and Engineering Research Board (SERB), Department of Science & Technology (DST), Government of India | Diaryldiselenide based Glutathione peroxidase mimetics |
| Computationally aided synthesis of artificial receptors: Biomimetic molecularly imprinted polymers (MIPs) | Dr Shekhar Hansda, Scientist, CSIR-Central Glass and Ceramic Research Institute (CSIR-CGCRI), Ahmedabad | 2020 | Council of Scientific and Industrial Research (CSIR), Government of India | Artificial receptors |
| Computer-Aided Drug Discovery against COVID-19 | Dr Parimal Kar, Assistant Professor, Indian Institute of Technology (IIT) Indore | 2020 | Drug repurposing for COVID-19 |