Ulissi, Zachary Ward

7 publications

ICML 2025 All-Atom Diffusion Transformers: Unified Generative Modelling of Molecules and Materials Chaitanya K. Joshi, Xiang Fu, Yi-Lun Liao, Vahe Gharakhanyan, Benjamin Kurt Miller, Anuroop Sriram, Zachary Ward Ulissi

ICLRW 2025 All-Atom Diffusion Transformers: Unified Generative Modelling of Molecules and Materials Chaitanya K. Joshi, Xiang Fu, Yi-Lun Liao, Vahe Gharakhanyan, Benjamin Kurt Miller, Anuroop Sriram, Zachary Ward Ulissi

NeurIPS 2025 UMA: A Family of Universal Models for Atoms Brandon M Wood, Misko Dzamba, Xiang Fu, Meng Gao, Muhammed Shuaibi, Luis Barroso-Luque, Kareem Abdelmaqsoud, Vahe Gharakhanyan, John R. Kitchin, Daniel S. Levine, Kyle Michel, Anuroop Sriram, Taco Cohen, Abhishek Das, Sushree Jagriti Sahoo, Ammar Rizvi, Zachary Ward Ulissi, C. Lawrence Zitnick

ICLR 2024 Fine-Tuned Language Models Generate Stable Inorganic Materials as Text Nate Gruver, Anuroop Sriram, Andrea Madotto, Andrew Gordon Wilson, C. Lawrence Zitnick, Zachary Ward Ulissi

ICLR 2024 From Molecules to Materials: Pre-Training Large Generalizable Models for Atomic Property Prediction Nima Shoghi, Adeesh Kolluru, John R. Kitchin, Zachary Ward Ulissi, C. Lawrence Zitnick, Brandon M Wood

NeurIPSW 2023 Fine-Tuned Language Models Generate Stable Inorganic Materials as Text Nate Gruver, Anuroop Sriram, Andrea Madotto, Andrew Gordon Wilson, C. Lawrence Zitnick, Zachary Ward Ulissi

TMLR 2022 GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets Johannes Gasteiger, Muhammed Shuaibi, Anuroop Sriram, Stephan Günnemann, Zachary Ward Ulissi, C. Lawrence Zitnick, Abhishek Das