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RESEARCH PAPER · Journal of Physics Materials · 2019

Rocketsled: a software library for optimizing high-throughput computational searches

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17 direct citing papers in this saved network. Explore the next layer with second-order citations.

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42 direct citing works

Rocketsled: a software library for optimizing high-throughput computational searchesOriginalData driven modeling of magnetism in dilute magnetic semiconductors: correlation between the magnetic features of diluted magnetic semiconductors and electronic properties of the constituent atoms9Preface0Electronic structure calculations of twisted multi-layer graphene superlattices44Scientific AI in materials science: a path to a sustainable and scalable paradigm120Interfacial informatics4Machine learning for materials discovery: Two-dimensional topological insulators71Co-design Center for Exascale Machine Learning Technologies (ExaLearn)13Design Principles of Large Cation Incorporation in Halide Perovskites13Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing51Towards Automated Design of Corrosion Resistant Alloy Coatings with an Autonomous Scanning Droplet Cell18Machine‐Learning‐Assisted Determination of the Global Zero‐Temperature Phase Diagram of Materials109Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources13Faux-Data Injection Optimization for Accelerating Data-Driven Discovery of Materials1Impact of Molecular Geometry and Functionalization on Solution Complexation of Coronene-Based Buckybowls and Fullerenes6Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system7GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics120Employing artificial intelligence to steer exascale workflows with colmena7

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  1. Data driven modeling of magnetism in dilute magnetic semiconductors: correlation between the magnetic features of diluted magnetic semiconductors and electronic properties of the constituent atoms

    Journal of Physics Condensed Matter · 2019-07-13

    Fadoua Khmaissia, Hichem Frigui, Antonis N. Andriotis, Madhu Menon

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  2. Preface

    Journal of Physics Materials · 2019-10-30

    Amanda Susan Barnard

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  3. Electronic structure calculations of twisted multi-layer graphene superlattices

    2D Materials · 2020-05-01

    Georgios A Tritsaris, Stephen Carr, Ziyan Zhu, Yiqi Xie, Steven B Torrisi, Jing Tang, Marios Mattheakis, Daniel T Larson, Efthimios Kaxiras

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  4. Scientific AI in materials science: a path to a sustainable and scalable paradigm

    Machine Learning Science and Technology · 2020-06-05

    Brian DeCost, Jason R. Hattrick-Simpers, Zachary Trautt, Aaron Gilad Kusne, Eva M. Campo, ML Green

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  5. Interfacial informatics

    Journal of Physics Materials · 2021-07-01

    Julia Melisande Theresa Agatha Fischer, Amanda J Parker, Amanda Susan Barnard

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  6. Machine learning for materials discovery: Two-dimensional topological insulators

    Applied Physics Reviews · 2021-08-03

    Gabriel Ravanhani Schleder, Bruno Focassio, A. Fazzio

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  7. Co-design Center for Exascale Machine Learning Technologies (ExaLearn)

    The International Journal of High Performance Computing Applications · 2021-09-27

    Francis J. Alexander, James Ang, Jenna A. Bilbrey, J. T. Balewski, Tiernan A. Casey, Ryan Chard, Jong Youl Choi, Sutanay Choudhury, Bert Debusschere, Anthony M. DeGennaro, Nikoli Dryden, J Austin Ellis, Ian T Foster, Cristina García–Cardona, Sayan Ghosh, Peter Harrington, Yunzhi Huang, Shantenu Jha, Travis Johnston, Ai Kagawa, Ramakrishnan Kannan, Neeraj Kumar, Zhengchun Liu, Naoya Maruyama, Satoshi Matsuoka, Erin McCarthy, Jamaludin Mohd-Yusof, P. Nugent, Yosuke Oyama, Thomas E. Proffen, David Pugmire, Sivasankaran Rajamanickam, Vinay Ramakrishniah, M. Schram, Sudip K. Seal, Ganesh Sivaraman, Christine M. Sweeney, Li Tan, Rajeev Thakur, Brian Van Essen, Logan T. Ward, Paul M. Welch, Michael Wolf, Sotiris S. Xantheas, Kevin G. Yager, Shinjae Yoo, Byung-Jun Yoon

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  8. Design Principles of Large Cation Incorporation in Halide Perovskites

    Molecules · 2021-10-13

    Heesoo Park, Syam Kumar R, Sanjay Chawla, Fedwa El‐Mellouhi

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  9. Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing

    Unknown journal · 2021-11-01

    Logan T. Ward, Ganesh Sivaraman, J. Gregory Pauloski, Yadu Babuji, Ryan Chard, Naveen Kumar Dandu, Paul C. Redfern, Rajeev S. Assary, Kyle Chard, Larry A. Curtiss, Rajeev Thakur, Ian T Foster

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  10. Towards Automated Design of Corrosion Resistant Alloy Coatings with an Autonomous Scanning Droplet Cell

    JOM · 2022-06-21

    Brian DeCost, Howie Joress, Suchismita Sarker, Apurva Mehta, Jason R. Hattrick-Simpers

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  11. Machine‐Learning‐Assisted Determination of the Global Zero‐Temperature Phase Diagram of Materials

    Advanced Materials · 2023-03-22

    Jonathan Schmidt, Noah Hoffmann, Hai‐Chen Wang, Pedro Borlido, Pedro J. M. A. Carriço, Tiago F. T. Cerqueira, Silvana Botti, Miguel A. L. Marques

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  12. Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources

    IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) · 2023-05-01

    Logan T. Ward, J. Gregory Pauloski, Valérie Hayot‐Sasson, Ryan Chard, Yadu Babuji, Ganesh Sivaraman, Sutanay Choudhury, Kyle Chard, Rajeev Thakur, Ian T Foster

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  13. Faux-Data Injection Optimization for Accelerating Data-Driven Discovery of Materials

    Integrating materials and manufacturing innovation · 2023-06-01

    Abdul Wahab Ziaullah, Sanjay Chawla, Fedwa El‐Mellouhi

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  14. Impact of Molecular Geometry and Functionalization on Solution Complexation of Coronene-Based Buckybowls and Fullerenes

    Chemistry of Materials · 2023-07-06

    Marko R. Ivancevic, Melissa L. Ball, Vinayak Bhat, Jesse A. Wisch, Sean Parkin, Chad M. Risko, Barry P. Rand, Yueh‐Lin Loo

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  15. Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system

    Science and Technology of Advanced Materials Methods · 2023-09-25

    Akira Takahashi, Kei Terayama, Yu Kumagai, Ryo Tamura, Fumiyasu Oba

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  16. GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics

    The International Journal of High Performance Computing Applications · 2023-10-27

    Maxim Zvyagin, Alexander Brace, Kyle Hippe, Yuntian Deng, Bin Zhang, Cindy Orozco Bohorquez, Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael Irvin, Defne Gorgun, Natalia Vassilieva, J. Gregory Pauloski, Logan T. Ward, Valérie Hayot‐Sasson, Murali Krishna Emani, Sam Foreman, Zhen Xie, Diangen Lin, Maulik P. Shukla, Weili Nie, Joshua Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Ian T Foster, James J. Davis, Michael E. Papka, Thomas Scott Brettin, Rick L. Stevens, Animashree Anandkumar, Venkatram Vishwanath, Arvind Ramanathan

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  17. Employing artificial intelligence to steer exascale workflows with colmena

    The International Journal of High Performance Computing Applications · 2024-10-08

    Logan T. Ward, J. Gregory Pauloski, Valérie Hayot‐Sasson, Yadu Babuji, Alexander Brace, Ryan Chard, Kyle Chard, Rajeev Thakur, Ian T Foster

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