About Me
I am an interdisciplinary computational researcher with over eight years of experience in software development, machine learning, and molecular simulations. My academic and professional work has spanned multiple scientific domains, including nucleic acids research, chemical reaction network theory, and fluid mechanics, with a more recent focus on leveraging artificial intelligence for structural biology.
Background & Experience
Before joining EPFL, I was a Research Associate at Imperial College London where I developed novel numerical methods for the oxDNA toolkit to analyze the kinetics and thermodynamics of DNA‑based systems. This involved building an AI platform to predict DNA binding rates and studying sequence–structure–function relationships in various DNA reactions.
I earned my PhD (cum laude) from Eindhoven University of Technology. My research there led to the development of a kinetic Monte Carlo reactor that significantly advanced our understanding of chemical processes relevant to octane fuel production.
Beyond academia, I have applied my expertise through my data science consulting company, Sengar Consulting BV. I have successfully delivered over 30 projects in areas such as biotechnology, drug discovery, immunotherapy, and cyber security, using cutting‑edge models including diffusion models, transformers, and reinforcement learning.
International & Cross‑Cultural Work
My academic journey has taken me across Europe’s leading institutions — University of Cambridge, University of Surrey, Imperial College London, TU Delft, Utrecht University, Eindhoven University of Technology and EPFL — giving me a truly global perspective on research and teaching. In parallel with academia, my consulting practice has connected me with researchers and entrepreneurs across the United States, Korea, Saudi Arabia, the European Union and India. These diverse collaborations have sharpened my ability to communicate complex ideas across cultures and to deliver high‑quality work in a wide range of contexts.
Awards & Fellowships
- Marie Skłodowska‑Curie Postdoctoral Fellowship – Certificate of Excellence (with Prof. Max Welling): proposed a project on generative modeling of RNA dynamics using graph neural networks and latent diffusion. The proposal received a certificate of excellence.
- SNSF Postdoc.Mobility Fellowship (Score: 8.31/9): proposed a generative model to detect the effect of small‑molecule ligands on G‑protein coupled receptors (GPCRs) using GNNs and latent diffusion in a low‑dimensional space.
- IIT‑JEE 2011: achieved a rank within the 99.9th percentile, earning admission to IIT Delhi.
Grants & Funding Experience
I have extensive experience in writing grant proposals and securing funding. I have written or co‑written successful grant applications for EU agencies, NIH, SNSF, and UKRI, spanning topics from machine learning to chemical engineering.
Software & Technical Skills
- Python (Pandas, scikit‑learn, PyTorch, Keras, TensorFlow): used in 15+ projects, including three postdoctoral research projects and a dozen consulting engagements.
- Mathematica: used in over 10 projects (including three at the postdoctoral level, three during my PhD, and several in undergraduate research).
- C: used in three PhD‑level projects.
- C++: taught C++ to Master’s students during my PhD; used in one undergraduate project.
- Linux & HPC: extensive experience running simulations and managing computational clusters.
- Matlab: used in three freelancing projects and more than ten projects/assignments during my undergraduate studies.
- Java: used in five projects prior to university.
- Docker, Kubernetes, Run:AI: used to containerize and orchestrate machine‑learning workflows, including multi‑GPU and distributed training.
Find Me Online
You can find more about my work or connect with me on the following platforms:
Feel free to reach out via email at adityasengariitd@gmail.com.