Search Results for author: Zachary Ulissi

Found 9 papers, 7 papers with code

FINETUNA: Fine-tuning Accelerated Molecular Simulations

no code implementations2 May 2022 Joseph Musielewicz, Xiaoxiao Wang, Tian Tian, Zachary Ulissi

Finally, we demonstrate a technique for leveraging the interactive functionality built in to VASP to efficiently compute single point calculations within our online active learning framework without the significant startup costs.

Active Learning Transfer Learning

The Open Catalyst 2020 (OC20) Dataset and Community Challenges

5 code implementations20 Oct 2020 Lowik Chanussot, Abhishek Das, Siddharth Goyal, Thibaut Lavril, Muhammed Shuaibi, Morgane Riviere, Kevin Tran, Javier Heras-Domingo, Caleb Ho, Weihua Hu, Aini Palizhati, Anuroop Sriram, Brandon Wood, Junwoong Yoon, Devi Parikh, C. Lawrence Zitnick, Zachary Ulissi

Catalyst discovery and optimization is key to solving many societal and energy challenges including solar fuels synthesis, long-term energy storage, and renewable fertilizer production.

3D Pose Estimation

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