Sotabase

Career

· Director of Argonne’s Computation Institute, Argonne National Laboratory2006–2016
· Senior Scientist and Director of Data Science and Learning Division, Argonne National Laboratory
· Arthur Holly Compton Distinguished Service Professor of Computer Science, University of Chicago

Publications (40)

Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery
2018
170
cited
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
Digital Discovery · 2023
153
cited
Principles of the Battery Data Genome
Joule · 2021
80
cited
Accelerated, scalable and reproducible AI-driven gravitational wave detection
Nature Astronomy · 2020
63
cited
Enabling deeper learning on big data for materials informatics applications
Scientific Reports · 2021
58
cited
Challenges and Advances in Information Extraction from Scientific Literature: a Review
JOM · 2021
53
cited
IRNet: A General Purpose Deep Residual Regression Framework for Materials Discovery
Knowledge Discovery and Data Mining · 2019
47
cited
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing
Workshop on Machine Learning in High Performance Computing Environments · 2021
46
cited
Machine learning prediction of accurate atomization energies of organic molecules from low-fidelity quantum chemical calculations
MRS Communications · 2019
42
cited
Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl.
Journal of Physical Chemistry Letters · 2021
40
cited
KAISA: An Adaptive Second-Order Optimizer Framework for Deep Neural Networks
International Conference for High Performance Computing, Networking, Storage and Analysis · 2021
31
cited
Quantum Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-Hydrogen Atoms.
Journal of Physical Chemistry A · 2020
29
cited
Strategies for accelerating the adoption of materials informatics
MRS bulletin · 2018
29
cited
Bridging Data Center AI Systems with Edge Computing for Actionable Information Retrieval
Annual Workshop on Large-scale Experiment-in-the-Loop Computing · 2021
25
cited
Data-Driven Cloud Clustering via a Rotationally Invariant Autoencoder
IEEE Transactions on Geoscience and Remote Sensing · 2021
19
cited
Virtual Excited State Reference for the Discovery of Electronic Materials Database: An Open-Access Resource for Ground and Excited State Properties of Organic Molecules.
Journal of Physical Chemistry Letters · 2019
19
cited
Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models.
Journal of Physical Chemistry A · 2021
17
cited
Co-design Center for Exascale Machine Learning Technologies (ExaLearn)
The international journal of high performance computing applications · 2021
16
cited
AICCA: AI-driven Cloud Classification Atlas
Remote Sensing · 2022
15
cited
XaaS: Acceleration as a Service to Enable Productive High-Performance Cloud Computing
Computing in science & engineering (Print) · 2024
14
cited
Sotabase
Ian Foster | Researcher Profile | Sotabase | Sotabase