I am second-year PhD student, working with Dr. Kevin Maik Jablonka. I'm building machine learning systems to speed up scientific research, and I love projects that involve both research and building the tooling that enables and accelerates that research. Lately, I’ve been analyzing general-purpose AI models/systems to understand their limitations in scientific applications—where they fail—and interpreting them to uncover why they fail. My goal is to use these insights to design AI systems that aren’t just impressive on benchmarks but truly impactful for advancing science and research.

Experience

Nov 2023 - Present

PhD Researcher Friedrich-Schiller-Universität Jena

Advisor: Dr. Kevin Maik Jablonka

Nov 2023 - Apr 2024

AI Research Contractor (Part-time) Stability AI

Dataset curation | Benchmarking

Jun 2022 - Sept 2023

Principal Engineer QpiVolta Technologies

Material simulation using geometric deep learning models | Software development

Jun 2021 - Jun 2022

Research Engineer QpiAI Technologies

Real-time video analytics | Computer vision

Publications

MatText: Do Language Models Need More than Text & Scale for Materials Modeling?

AI4Mat-Vienna 2024 2024

⭐ spotlight (oral)

MatText: Do Language Models Need More than Text & Scale for Materials Modeling?

Nawaf Alampara, Santiago Miret, Kevin Maik Jablonka

Revealing Transformer models' (IFT and trained from scratch) limitations in capturing 3D geometric information crucial for materials modeling.

2024

Are large language models superhuman chemists?

Adrian Mirza, Nawaf Alampara, et al.

First comprehensive benchmark for chemistry-specific AI capabilities, evaluating chemical knowledge, intuition, and reasoning of LLMs against human chemists.

AI4Mat-NeurIPS 2024 2024

⭐ spotlight (oral)

Probing the limitations of multimodal language models for chemistry and materials research

Nawaf Alampara, et al.

Multimodal benchmark for chemistry/materials science for AI with ablations to interpret the limitations

Journal of Physics D: Applied Physics 2024

Formation of an extended defect cluster in cuprous oxide

G Aggarwal, S Chawla, AJ Singh, Nawaf Alampara, et al.

Characterization of intrinsic defects and dopants in Cu₂O, leading to discovery and experimental validation of new defect formation.

Education

2023—2026

Friedrich-Schiller-Universität Jena, Germany

PhD Machine Learning for Science

Advisor: Dr. Kevin Maik Jablonka

2018—2020

Indian Institute of Technology Bombay, India

MSc Energy Science

Advisor: Prof. K R Balasubramaniam

Thesis: Defects and Dopants in Cu₂O - DFT study

2015—2018

Birla Institute of Technology Mesra, India

BSc Physics

Portfolio

EnergyNet

PythonPyTorchPyG

Graph neural network framework for predicting structure property relationships of periodic crystals and molecules. Ranked within top 7 models in NeurIPs OC20 Competition.