Somyajit Chakraborty, (Sam) PhD. (叶一明)
Physical AI Researcher · LLMs, CFD & Complex Networks
Welcome
I am a PhD student at Shanghai Jiao Tong University (SJTU) in the School of Chemical Engineering and Chemistry, where I work on AI for Scientific Simulation, Physical AI, and Computational Modeling under the supervision of Professor Chen Xizhong. My long-term research vision is to develop intelligent systems that can accelerate scientific simulation, surrogate modeling, design, optimization, and discovery in complex physical and industrial systems through machine learning.
Before starting my PhD, I completed my Master’s at University College Cork under the mentorship of Professor Rosane Minghim, a highly respected researcher in visual analytics, data visualization, and scientific data analysis. I also hold a B.Tech. in Computer Science and Engineering from Techno India University. My academic and research journey spans AI, scientific machine learning, computational physics, generative modeling, complex networks, and data-driven discovery.
My current research interests include:
(1) Core AI and Foundation Models: Developing advanced machine learning models, including transformers, generative AI, scientific foundation models, and agentic AI systems for reasoning, simulation, and decision support in scientific domains.
(2) AI for Physical Sciences and Engineering: Building physics-informed and data-driven AI systems for CFD, PDE surrogate modeling, multiscale scientific simulation, process optimization, and scientific computing, with the broader goal of enabling more reliable and efficient simulation-assisted engineering.
(3) AI for Scientific Discovery and Energy: Designing AI methods that support inverse design, scientific hypothesis generation, interpretable modeling, and hybrid simulation-learning workflows across chemistry, fluid systems, energy systems, and industrial processes.
(4) AI for Pharmaceutical Research: Exploring AI-driven automation, micro/nano-robotics for surgical and medical tasks, drug and capsule design using Physical AI, DEM-FEM coupling, pharmaceutical manufacturing, and digital twins for medical and drug-delivery systems.
My broader goal is to contribute to the next generation of Physical and Cognitive AI, where AI not only predicts outcomes, but also helps scientists and engineers simulate, understand, control, and discover complex real-world systems more effectively, while moving toward systems with stronger reasoning, autonomy, and scientific cognition.
I am open to research and technical collaborations in Mainland Europe, China, Singapore, and the United States. If you work on AI for Science, physics, scientific discovery, or advanced machine learning for real-world systems, I would be glad to connect.
Research Interests
AI agents & LLMs
Large Language Models, RAG, Multi-Agent Systems
Computational Physics
CFD, PDE Solvers, Physics-Informed ML
Complex Networks
Social Networks, Scientometrics, Cognitive Networks
AI4Science
Scientific Computing, Simulations, Materials Design
Explore
Publications
Journals, Conferences & Preprints
Projects
GitHub Repositories & Code
Blog
Research & Anecdotes
Reviewer
- Ocean Engineering
- ACM Transactions on Computing for Healthcare
- ICECCME — The 6th International Conference on Electrical, Computer, Communications and Mechatronics Engineering, Bali, Indonesia
- ICECET — 5th International Conference on Electrical, Computer and Energy Technologies, Rome, Italy
My Favorites
- Future: AGE OF BEYOND: If Humans & AI United — This is humanity's future we should all strive for.
- Video: BBC - The Fantastic Mr Feynman — A fascinating BBC feature on Richard Feynman (my all time mentor from the great beyond!), highlighting his genius, curiosity, and unique way of seeing the world.
- Sci-fi show: Star Wars — An epic space opera set in a galaxy far, far away, spanning a rich universe of heroes, villains, and the eternal struggle between light and darkness.
- Sci-fi novel: Isaac Asimov — Foundation series — A sweeping saga of the decline and rebirth of a galactic empire, following a mathematician who uses psychohistory to guide humanity across millennia of history.
Publications
My research contributions spanning AI, Network Science, Healthcare, and Computational Physics
View on Google ScholarSelected Publications
Journal Articles
Under Review
Conference Proceedings
Preprints
GitHub Projects
Selected research projects in AI, Computational Physics, Network Science, and Machine Learning
Visit GitHub ProfileEducation
My academic journey across three continents
Doctor of Philosophy
LLMs & Computational Fluid Dynamics
Shanghai Jiao Tong University
Research focus on CFD, DEM, Simulations, LLMs, Physics Informed Machine Learning, and Computational Chemistry.
Master of Science
Data Science and Analytics
University College Cork
Thesis: "Genchron Network Analytics tool for Medieval Literature Studies" (Honours). Modules included Deep Learning, Machine Learning, Statistical Modelling, Python for Data Science.
Bachelor of Technology
Computer Science & Engineering
Techno India University
Thesis: "Scoring SM Posts using Behavioural Inputs using Social Networks". Grade: 8.27/10
Experience
My professional journey across research, industry, and academia
Current Positions
CGS Doctoral Fellow (PhD)
Shanghai Jiao Tong University
Dept. of Chemical Engineering and Chemistry
Computer Scientist RA (Gen AI)
University College Cork
Dept. of Computer Science
Visiting Lecturer
Techno India University
Dept. of Computer Science and Engineering
Researcher
CAINS Labs
India
Industry Experience
Research Assistant - AI Engineer (LLMs & GenAI)
University College Cork
- Led 3 cross-domain R&D projects leveraging Large Language Models, improving scalability by 40%
- Developed a visual analytics platform for 20+ datasets, boosting insight extraction by 50%
- Designed LLM-based chatbot for real-time path accuracy using PostGIS, up by 15%
- Integrated GCP map plugins for geospatial features, up by 30%
- Evaluated chatbot responses with BLEU, ROUGE (35% improvement)
- Implemented RAG-based approaches for better context awareness (25% improvement)
Fullstack Software Engineer - Cloud
Virtusa
- Developed 2 SaaS-based cloud apps in ServiceNow environment, reducing manual processing by 40%
- Led team of 8 in project development and system integration, cutting deployment time by 25%
- Integrated payment gateways, MFA, and AWS/GCP services, raising security compliance by 50%
Academic Experience
Teaching Assistant
University College Cork - Dept. of Computer Science
- Conducted Lectures on Programming with Python I
- Topics: Introduction to Python, Control Structures, Functions, Data Structures, Error Handling, OOP, APIs & Web Scraping, Data Processing, Visualization
- Data Visualization & Machine Learning fundamentals
- Storytelling with Data, Big Data Visualization, Dashboard Design
Google Developer Club (GDG) Mentor
Techno India University
- Lectures on Machine Learning & Deep Learning with GCP
- Data prep with BigQuery ML, model training, deployment on GCP
- GCP Fundamentals, Compute & Storage, IAM, Cloud Functions, BigQuery, DevOps
Blog
Research insights, anecdotes, and reflections on my academic journey