Curriculum Vitae
General Information
| Full Name | Saikat Roy |
| Date of Birth | 9th December 1994 |
| Gender | Male |
| Category | General |
| Place | Garhbeta, Paschim Medinipur, West Bengal, India, 721127 |
| Languages | English, Bengali, Hindi |
| Contact | Email: saikat403@gmail.com, saikat@iitkgp.ac.in |
Education
- 2017-2022
Doctor of Philosophy
Indian Institute of Technology Kharagpur, Kharagpur, 721302, India
- Computational Chemistry
- Supervisor: Dr. Anoop Ayyappan
- Thesis title: Conformational...
- 2015-2017
Masters of Science
Indian Institute of Technology Kharagpur, Kharagpur, 721302, India
- In Chemistry
- CGPA: 8.66
- 2012-2015
Bachelor of Science
Ramakrishna Mission Vidyamandira, Belur Math, Howarh, 711202, India
- Major Chemistry
- Minor Physics, Mathematics, English, Bengali
- Percentage: 75.5
- 2010-2012
Higher Secondary Education
Garhbeta High School, Garhbeta, 721127, India
- West Bengal Council of Higher Secondary Education (WBCHSE)
- Science
- Percentage: 90.4
- 2010
Secondary Education
Garhbeta High School, Garhbeta, 721127, India
- West Bengal Board of Secondary Education (WBBSE)
- Percentage: 86
Open Source Projects
- 2022-now
rksn_automate
- Automated Reaction Search Scripts
- 2021-now
ssa
- Our implementation of Gillespie's Stochastic Simulation Algorithm (SSA)
- 2021-now
anoopab-docs
- Beginners documentation/wiki for setting up various softwares in HPC Facility.
- Documentation is given according to PARAMSHAKTI Supercomputing Facility at IIT Kgp.
- SLURM Queuing system
- Check AnoopLab Wiki here
Research Interests
-
Development
- Automation in Computational Reaction Search
- ML
-
Exploration
- Complex transition metal catalyzed reactions, Organocatalysis, Stochastic simulation
Computer Skills
- Languages: Python, C++, bash.
- Python Libraries: Numpy, Matplotlib, Pandas, Scipy, etc.
- Linux HPC system Administration.
- SLURM, SGE Queuing System.
Program(s)/ Softwares Executed
- ORCA
- Gaussian
- Turbomole
- Psi4
- XTB
- MOPAC
- Chemshell (Tcl and Python)
- Multiwfn
Conference and Workshop Attended
- 2022
- Poster: "Designing Catalysts on Computers (DCC)", IACS Kolkata, India.
- Poster: "National Conference on Molecular Modelling and Simulations (NCMMS)", Online Mode, VIT Bhopal, India.
- 2021
- Poster: "Theoretical Chemistry Symposium (TCS)", Online Mode, IISER Kolkata, India.
- 2019
- Workshop: "Machine Learning for Science (ML4SCIENCE)", IIIT Hyderabad, India.
Teaching at IIT Kgp
- 2020
- Course: Introduction to Quantum Chemistry and Spectroscopy (CY41009)
- Semester: Autumn
- Batch: First year MSc.
- 2019
- Course: Biochemistry Laboratory (CY49006)
- Semester: Spring
- Batch: MSc.
- 2019
- Course: Physical Laboratory (I) (CY29001)
- Semester: Autumn
- Batch: MSc.
- 2018
- Course: First Year Laboratory (CY19001)
- Semester: Spring
- Batch: First year BTech.
- 2018
- Course: Introduction to Computational Chemistry (CY40014)
- Semester: Autumn
- Batch: First year MSc.
- 2017
- Course: First Year Laboratory (CY19001)
- Semester: Spring
- Batch: First year BTech.