Saurabh Sivakumar

Saurabh Sivakumar

ChemE PhD (Fall 2021) student at UC Davis

Publications

Automated Pynta-Based Curriculum for ML-Accelerated Calculation of Transition States

Trevor Price, Sivakumar, Saurabh, Matthew S Johnson, Judit Zador and Kulkarni, Ambarish. The Journal of Physical Chemistry C 2025

Toward an ab Initio Description of Adsorbate Surface Dynamics

Sivakumar, Saurabh, and Kulkarni, Ambarish. The Journal of Physical Chemistry C 2024

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