Multiple papers accepted at NeurIPS 2025, including 'High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction', 'Energy-based Generator Matching', 'On Scalable and Efficient Training of Diffusion Samplers', 'Flexible MOF Generation with Torsion-Aware Flow Matching', and 'Structural Reasoning Improves Molecular Understanding of LLM'
Papers at EMNLP 2025: 'Self-Training Large Language Models with Confident Reasoning', 'Improving Chemical Understanding of LLMs via SMILES Parsing', and 'MT-Mol: Multi Agent System with Tool-based Reasoning for Molecular Optimization'
Paper at ICLR 2025: 'ReBind: Enhancing Ground-state Molecular Conformation Prediction via Force-Based Graph Rewiring'
Paper at KDD 2025 (Datasets and Benchmarks Track): 'RL4CO: an Extensive Reinforcement Learning for Combinatorial Optimization Benchmark'
Paper in Transactions on Machine Learning Research (TMLR), 2024: 'Decoupled Sequence and Structure Generation for Realistic Antibody Design'
Multiple contributions to ACL 2025 (Main Conference and Findings)
Research spans LLMs for molecular generation, chemical reasoning, structural diversity, and conformation prediction
Collaborates with prominent researchers including Yoshua Bengio