| SRM Institute of Science and Technology, Ramapuram Campus | |
| Title of the Event: | Workshop on Quantum Mechanical calculations through Computational Techniques |
| Date: | 27th July, 2024 |
| Time: | 10 am to 12.45 pm |
| Venue: | Online/ZOOM Meeting |
| Total Attendees: | 359 |
| Resource person: | 1. Dr. RENJITH THOMAS FRSC, Associate Professor, Department of Chemistry, Director, Centre for Theoretical and Computational Chemistry, St. Berchmans College, Kottayam, 686101 Kerala, India. |
| 2. Dr. T. KARTHICK, Assistant Professor (Research), Department of Physics, School of EEE, SASTRA Deemed University, Thanjavur, Tamil Nadu | |
| Profile of the Speaker Dr. RENJITH THOMAS FRSC, Associate Professor, Department of Chemistry, Director, Centre for Theoretical and Computational Chemistry, St. Berchmans College, Kottayam, 686101 Kerala, India. He authored more than 165 research papers in different well-known journals, with a cumulative H- index of 42. He is an Associate Editor of the Journal of Computational Biophysics and Chemistry, Associate Editor of frontiers in Chemistry: Theoretical Chemistry Division, Editorial Board Member of BMC Chemistry (Springer), and Editorial Board Member of Results in Chemistry (Elsevier), and a regular reviewer for about 40 journals.Stanford University and Elsevier listed him in the World’s top 2% of scientists (2021 to 2023) in Chemical Physics. He is elected as a fellow of the Royal Chemical Society, London, and executive council member of the Kerala Academy of Sciences. He is the recipient of the prestigious Prof Sivaprasad Award for the best college teacher in Kerala-2023 and the best author award of the Elsevier – Journal of Indian Chemical Society and Fr Jose Thekkan Award | |
| for the best college teacher in Kerala, 2024. Dr. T. KARTHICK, Assistant Professor (Research), Department of Physics, School of EEE, SASTRA Deemed University, Thanjavur, Tamil Nadu He has completed his Ph.D. in the Manonmaniam Sundaranr University, Tirunelveli in the year of 2014, Post Doctoral Fellowship in University of Lucknow in 2019. During his period of research he has published 57 research articles at the national and international journals now his citation about 1500 and H- index about 17. He has achieved many awards in his carrier, 2022 – Reorganization from TNSCST, Tamil Nadu for publishing Scientific content in Tamil. 2018 – Awarded Best Research Paper Award, University of Lucknow, Uttarpradesh, India. 2018 – Awarded for Outstanding contribution in Reviewing by Journal of Molecular Structure. 2017 – Awarded for Outstanding contribution in Reviewing by Spectrochimica Acta A. 2017 – Granted funding for postdoctoral Research by IOCB, Prague, Czech Republic. 2016 – Awarded International Travel Fellowship by DST, New Delhi, India. 2015 – Granted funding for postdoctoral Research Fellowship by UGC, New Delhi, India. | |
| Event Mode: | Online |
| Chairperson: Session 1: | Dr. T.Beena, Assistant Professor (SG), Department of Physics, SRMIST, Ramapuram, Chennai. |
| Session 2: | Dr. A. Senthil, Associate Professor, Department of Physics, SRMIST, Ramapuram, Chennai |
| Objective of the Event | |
| The workshop aimed to focus on the quantum-mechanical calculations through the computational techniques. The Computational techniques used to compute a wide variety of properties of almost any kind of atomic system: molecules, crystals, surfaces, and even electronic devices when combined with non-equilibrium Green’s functions (NEGF). All those properties are important to the drug discovery, pharmaceutical industries and researchers working in the same field. This workshop is a perfect opportunity for us to do just that, as we can hear from experts and learn about new and exciting ideas. | |
Report of the Event:
The Department of Physics, SRM Institute of Science and Technology, Faculty of Engineering and Technology, Rampuram Campus organized the one day Workshop on Quantum Mechanical calculations through Computational Techniqueson 27th July, 2024│Time: 10am to 12 Noon for the benefit of Academicians, Researchers and Industrialists.
Chief Guest Speech Session 1:
Title: Enhanced Predictive Modelling of Molecular Properties via Computational Methods
Resource person: Dr. RENJITH THOMAS FRSC, Associate Professor, Department of Chemistry, Director, Centre for Theoretical and Computational Chemistry, St. Berchmans College, Kottayam, 686101 Kerala, India
Skills Gained: This workshop was an attempt to cover predicting the molecular properties for the drug molecule. He has explained molecular docking through the various Computational methods. The session were well explained, the knowledge disseminated during the lecture sessions with adequate hands on experience. The entire session was an interactive session and the speakers answered many queries raised by the participants.
Session 2:
Title:Quantum Chemical Computations in Material’s Research and Drug Designing
Resource person: Dr. T. KARTHICK, Assistant Professor (Research), Department of Physics, School of EEE, SASTRA Deemed University, Thanjavur, Tamil Nadu
Skills Gained: In this session speaker has briefed about the fundamentals of Quantum Chemical Calculations and findings with the published papers. He has given the hands-on training in using various molecular modelling tools which produces the accurate results. The Molecular Docking basically addresses three key goals – virtual screening, pose prediction, and binding affinity estimation were clearly explained by the speaker. He shared his experience in the area of Quantum Chemical Calculations and inspired the students to pursue career in the same field. The presentation and interaction of the speaker was very effective, wherein he showed many related small molecule
docking virtually. The participants interacted enthusiastically and the resource person answered their queries and cleared their doubts.
All participants were awarded certificates. Participants also shared their feedback and experiences of the workshop.
Concluding remarks: The Convenor Dr. A. Nataraj, Assistant Professor in Physics of the workshop has welcomed the gathering at the beginning and mentioned the outcome of the workshop and concluded the workshop with a vote of thanks.
Feedback:
There are the 359 participants are participated in the workshop and they were provided their valuable feedback about the event, based on the report 93.5 % of participants were reported workshop topics are relevant to their field of research also they appreciated the speakers, organizers and SRMIST ramapuram for the opportunity provided.
Outcome of the Workshop:
The online Workshop on Quantum Mechanical calculations through Computational Techniques helps the participants to solve the theoretical and computational related problem in their own. The workshop also provided hands on training about the molecular modelling software packages which are currently cited in the journal paper.
