Publications

Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters

Rajesh K. Raju, Saurabh Sivakumar, Xiaoxiao Wang, and Zachary W. Ulissi.Journal of Chemical Information and Modeling

Developing an integrated experiment theory approach to provide new insights into heterogeneous catalysis using atomically dispersed materials

Sivakumar, Saurabh,Price, Trevor,Ethirajan,Sudheesh, Kulkarni,Ambar, and Kronawitter, Coleman. UC Davis - Sandia Symposium 2022

Offline Active Learning for Saddle point searches

Sivakumar, Saurabh,Shuaibi, Muhammed, Adams,Matthew, and Ulissi, W. Zachary. AIChE Fall 2020 Conference

Enabling robust offline active learning for machine learning potentials using simple physics-based priors

Shuaibi, Muhammed, Sivakumar, Saurabh, Chen, Rui Qi, and Ulissi, W. Zachary. Machine Learning Science & Technology