Conference Presentations

(* Presenting author)

1. S. Thaler, F. Mayr*, S. Thomas*, A. Gagliardi, and J. Zavadlav. Partial Charge Assignment to Metal Organic Frameworks through Active Learning. ARTEMIS 1st Plenary meeting at Raitenhaslach Germany, during November 7-9, 2022

2. S. Thaler, F. Mayr, S. Thomas, A. Gagliardi*, and J. Zavadlav. Partial Charge Assignment to Metal Organic Frameworks through Active Learning. The e-conversion conference 2022 at Venice, Italy during October 4-7, 2022

3. S. Thomas, and M. Asle Zaeem*. Assessment of gas sensing properties of 2D materials by comprehensive density functional theory calculations. The 150th virtual TMS Annual Meeting during March 15-18, 2021 (Invited Talk)

4. S. Thomas* and M. Asle Zaeem. Multi-scale modelling and defect engineering in boron carbon-nitride van der Waals heterostructures. The 149th TMS Annual Meeting and Exhibition at San Diego, California, USA during February 23-27, 2020 (Invited Poster)

5. S. Thomas* and Sang Uck Lee. Phographene nanosheet for high-performance Lithium-Ion battery anode applications. 123rd General Meeting of the Korean Chemical Society at Suwon Convention Center, Suwon, Republic of Korea during April 17-19, 2019.  

6. S. Thomas*, Hoijung Jueng, Byeongsun Jun, Sang Uck Lee. First-principles study of two-dimensional planar carbon allotropes for Lithium-Ion battery anode materials. The Korean Chemical Society's 122nd General Meeting at EXCO, Daegu, Republic of Korea during October 17-19, 2018.

7. Eun bi Nam*, S. Thomas, Sang Uck Lee.  Atomistic Insights into the thermomechanical properties and Li diffusion in ψ-graphene for Lithium-Ion battery anode material. The Korean Chemical Society's 122nd General Meeting at EXCO, Daegu, Republic of Korea during October 17-19, 2018.

8. S. Thomas*, Hoi Jung Jueng and Sang Uck Lee. Anisotropic mechanical properties of graphene using energy and strain fluctuation methods. Korean Chemical Society's 127th symposium for Physical Chemistry division at Sokcho, Republic of Korea during July 09-11, 2018.

9. S. Thomas*, Hoi Jung Jueng and Sang Uck Lee. Assessment of the anisotropic mechanical properties 2D carbon allotropes. 121st General Meeting of the Korean Chemical Society at ICC JEJU, Jeju, Republic of Korea during April 18-20, 2018.

10. S. Thomas*, K. M. Ajith and M. C. Valsakumar. Anisotropic elastic properties of graphene using classical molecular dynamics. NanoteC16 - The British Carbon Group’s Conference on Carbon Nanoscience and Nanotechnology at Trinity College, Dublin, Ireland during August 31 - September 3, 2016.

11. S. Thomas*, M S Mrudul, K. M. Ajith and M. C. Valsakumar. Youngs modulus of defective graphene sheet from intrinsic thermal vibrations". XXVII IUPAP Conference on Computational Physics: CCP2015 at Indian Institute of Technology Guwahati, Assam, India during December 2-5, 2015.

12. S. Thomas*, K. M. Ajith and M. C. Valsakumar. Structural Analysis of Graphene and h-BN: A Molecular Dynamics Approach. International Conference on Condensed Matter and Applied Physics at Govt. Engineering College, Bikaner, Rajasthan, India during October 30-31, 2015. (Received the best poster award - First prize).

13. Raison Dsouza*, S. Thomas and K. M. Ajith. Molecular Dynamics study of Silicene nanosheet. National Conference on Condensed Matter Physics and Applications at Manipal Institute of Technology, Manipal, India during March 27-28, 2015.

14. S. Thomas* and K. M. Ajith. Study on pristine and defective layered structures using Molecular Dynamics. DST-SERB School on Density Functional Theory and Beyond: Computational Materials Science and Materials Design at the M. S. University of Baroda, Gujarat, India during November 24 to December 13, 2014.

15. S. Thomas*, K. M. Ajith, Sharat Chandra and M. C. Valsakumar. High-temperature studies of pristine and defective h-BN sheet using Molecular Dynamics. International Symposium on Molecular Simulations at Hyderabad Central University, Gachibowli, Telangana State, India on August 24, 2014.

16. S. Thomas* and K. M. Ajith. Molecular Dynamics Simulation of the Thermo-mechanical Properties of Monolayer Graphene Sheet. International Conference on Advances in Manufacturing and Materials Engineering (ICAMME-2014) at National Institute of Technology Karnataka (NITK), Surathkal, India during March 27-29, 2014.

17. S. Thomas* and K. M. Ajith. Molecular Dynamics Simulation of the Structural and Thermodynamic Properties of Monolayer Graphene Sheet. International Conference on Advanced Functional Materials 2014 (ICAFM-2014) at CSIR-National Institute for Interdisciplinary Science ad Technology (NIIST), Thiruvananthapuram, India during February 19-21, 2014.

Seminars, Webinars and Workshops

1. Webinar on Introduction to Artificial Intelligence and Machine Learning on February 01, 2022 Organized by Christ College Irinjalakuda, Kerala, India. 

2. National Workshop on Computational Materials Science during 17-18, April 2015 at NITK Surathkal.

3. Winter School on Materials and Processes for Applications in Energy and Environment from January 15 to 17, 2015 at JNCASR, Bangalore.

4. DST-SERB School on Density Functional Theory and Beyond: Computational Materials Science and Materials Design at the M. S. University of Baroda, Vadodara., during November 24 to December 13, 2014.

5. National workshop on "Quantum Mechanics and Applications" during March 22-24, 2013 at NITK Surathkal.

6. Science Academies’ Workshop on "Frontiers in astronomy" during February 1-3, 2013, at NITK Surathkal.

7. Workshop on "Density Functional Theory" during 27 th National Conference on Plasma Science and Technology (PLASMA-2012) at Pondicherry Central University from December 10 to 13, 2012.

8. Science Academies’ XXXIX Refresher Course in Experimental Physics at National Institute of Technology Karnataka, Surathkal during July 16 - 31, 2012.

9. Summer training program in Physics (STIP-12) at Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam from May 28 to July 6, 2012.

10. One day workshop on "Matlab and its Application Areas" at National Institute of Technology Calicut on March 17, 2012.

11. National Workshop on "Applied Materials and DFT" at Dept. of Physics, University of Calicut during March 8 - 9, 2012 sponsored by UGC-SAP program.