AI and Materials I
ORAL · A53 · ID: 1067000
Presentations
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Screening the unexplored crystal prototype space and inverting XRD patterns with the WREN machine-learning model
ORAL
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Publication: Rapid discovery of stable materials by coordinate-free coarse graining, R. E. A. Goodall, A. S. Parackal, F. A. Faber, R. Armiento, and A. A. Lee, Science Advances 8, eabn4117 (2022) https://doi.org/10.1126/sciadv.abn4117.
Presenters
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Rickard Armiento
- Linköping University
Authors
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Rickard Armiento
- Linköping University
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Abhijith S Parackal
- Linköping University
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Rhys Goodall
- University of Cambridge
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Felix A Faber
- University of Cambridge
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Alpha A Lee
- University of Cambridge
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Semi and Self Supervised approaches to Space Group and Bravais Lattice Determination
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Publication: "A semi-supervised deep-learning approach for automatic crystal structure classification"
Satvik Lolla Et al, Journal of Applied Crystallography 55 (2022)
https://doi.org/10.1107/S1600576722006069Presenters
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William Ratcliff
- National Institute of Standards and Technology
- National Institute of Standards and Technology; University of Maryland
Authors
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William Ratcliff
- National Institute of Standards and Technology
- National Institute of Standards and Technology; University of Maryland
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Satvik S Lolla
- State of Maryland
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Ichiro Takeuchi
- University of Maryland, College Park
- 1. Department of Materials Science and Engineering, University of Maryland, College Park, Maryland
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Aaron Kusne
- National Institute of Standards and Technology
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Haotong Liang
- University of Maryland, College Park
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Machine Learning the Electronic Structure of Phase Change Materials
ORAL
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Presenters
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Qunfei Zhou
- Northwestern University
Authors
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Qunfei Zhou
- Northwestern University
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Suvo Banik
- University of Illinois Chicago
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Srilok Srinivasan
- Argonne National Laboratory
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Subramanian K Sankaranarayanan
- University of Illinois, Argonne National
- University of Illinois Chicago
- Argonne National Laboratory
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Pierre Darancet
- Argonne National Laboratory
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Data-driven studies of topological magnetic vdW materials
ORAL
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Presenters
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Romakanta Bhattarai
- Rensselaer Polytechnic Institute
Authors
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Romakanta Bhattarai
- Rensselaer Polytechnic Institute
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Peter Minch
- Rensselaer Polytechnic Institute
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Trevor David Rhone
- Rensselaer Polytechnic Institute
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Data-driven Study of Magnetic Anisotropy in Transition Metal Dichalcogenide Monolayers
ORAL
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Presenters
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Peter Minch
- Rensselaer Polytechnic Institute
Authors
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Peter Minch
- Rensselaer Polytechnic Institute
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Romakanta Bhattarai
- Rensselaer Polytechnic Institute
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Trevor David Rhone
- Rensselaer Polytechnic Institute
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Using chemical-formula-based generalizable models to expand the search space for viable interconnect materials
ORAL
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Publication: A. Ramdas, E. Antoniuk and E. J. Reed, "A Multi-Objective Approach for Rapid Identification of Post-Cu Interconnect Candidates," 2022 International Symposium on VLSI Technology, Systems and Applications (VLSI-TSA), 2022, pp. 1-2, doi: 10.1109/VLSI-TSA54299.2022.9770966.
Presenters
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Akash Ramdas
- Stanford University
Authors
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Akash Ramdas
- Stanford University
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Evan J Reed
- Stanford Rsch Lab
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Felipe H da Jornada
- Stanford University
- Stanford
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How to Search for Stable Inorganic Compounds More Efficiently
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Presenters
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Sean D Griesemer
- Northwestern University
Authors
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Sean D Griesemer
- Northwestern University
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Ruijie Zhu
- Northwestern University
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Koushik Pal
- Northwestern University
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Cheol Park
- Northwestern University
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Logan Ward
- Argonne National Laboratory
- Data Science and Learning Division, Argonne National Lab
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Christopher M Wolverton
- Northwestern University
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Integrating Machine Learning with Mechanistic Models for Predicting the Yield Strength of High Entropy Alloys
ORAL
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Publication: Shunshun Liu, Kyungtae Lee, and Prasanna V. Balachandran, "Integrating machine learning with mechanistic models for predicting the yield strength of high entropy alloys", Journal of Applied Physics 132, 105105 (2022) https://doi.org/10.1063/5.0106124
Presenters
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Shunshun Liu
- University of Virginia
Authors
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Shunshun Liu
- University of Virginia
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Kyungtae Lee
- University of Virginia
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Prasanna V Balachandran
- University of Virginia
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Statistics on the magnetism of cobalt compounds: A database approach to discovering new Co-based ferromagnets
ORAL
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Publication: Journey K. Byland, Yunshu Shi, David S. Parker, Jingtai Zhao, Shaoqing Ding, Rogelio Mata, Haley E. Magliari, Andriy Palasyuk, Sergey L. Bud'ko, Paul C. Canfield, Peter Klavins, and Valentin Taufour, Phys. Rev. Materials 6, 063803 (2022)
Presenters
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Journey K Byland
- University of California, Davis
Authors
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Journey K Byland
- University of California, Davis
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Yunshu Shi
- University of California, Davis
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David S Parker
- Oak Ridge National Laboratory
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Journey K Byland
- University of California, Davis
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Shaoqing Ding
- Pennsylvania State University
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Rogelio Mata
- University of California, Davis
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Haley E Magliari
- University of California, Davis
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Andriy Palasyuk
- Ames Laboratory
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Sergey L Bud'ko
- Iowa State University
- Ames National Laboratory
- Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University
- Ames Laboratory
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Paul C Canfield
- Iowa State University
- Ames National Laboratory
- Ames National Laboratory/Iowa State University
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Peter Klavins
- University of California, Davis
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Valentin Taufour
- Department of Physics, University of California, Davis
- University of California, Davis
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Navigating materials design space with variational autoencoders to learn materials thermodynamics
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Presenters
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Vahe Gharakhanyan
- Columbia University
Authors
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Vahe Gharakhanyan
- Columbia University
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Dallas R Trinkle
- University of Illinois Urbana-Champaign
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Snigdhansu Chatterjee
- University of Minnesota
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Alexander Urban
- Columbia University
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Automatic, physical data extraction from scientific publications for application to generative molecular design in computational materials discovery
ORAL
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Presenters
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Ronaldo Giro
- IBM Research - Brazil
Authors
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Ronaldo Giro
- IBM Research - Brazil
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Mohab Elkaref
- IBM Research - UK
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Hsianghan Hsu
- IBM Research - Tokyo
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Nathan Herr
- IBM Research - UK
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Geeth de Mel
- IBM Research - UK
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Mathias B Steiner
- IBM Research - Brazil
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Machine Learned Synthesizability Predictions Aided by Density Functional Theory
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Publication: Lee, A., Sarker, S., Saal, J.E. et al. Machine learned synthesizability predictions aided by density functional theory. Commun Mater 3, 73 (2022). https://doi.org/10.1038/s43246-022-00295-7
Presenters
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Andrew Lee
- Northwestern University
Authors
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Andrew Lee
- Northwestern University
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Suchismita Sarker
- 3. Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California
- SLAC National Accelerator Laboratory
- Stanford Synchrotron Radiation Lightsource
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James E Saal
- Citrine Informatics
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Logan Ward
- Argonne National Laboratory
- Data Science and Learning Division, Argonne National Lab
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Christopher Borg
- Citrine Informatics
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Apurva Mehta
- 3. Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California
- SLAC National Accelerator Laboratory
- Stanford Synchrotron Radiation Lightsource
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Christopher M Wolverton
- Northwestern University
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Hypothesis-driven active learning over the chemical space
ORAL
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Presenters
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Ayana Ghosh
- Oak Ridge National Lab
Authors
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Ayana Ghosh
- Oak Ridge National Lab
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Sergei V Kalinin
- University of Tennessee
- University of Tennessee, Knoxville
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Maxim Ziatdinov
- Oak Ridge National Lab
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Artificial intelligence guided materials discovery of van der Waals magnets
ORAL
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Publication: [1] T. D. Rhone, et al., Sci Rep 10, 15795 (2020).
[2] Y. Xie, et al., J. Phys. Chem. Lett., 12, 50, 12048–12054 (2021).Presenters
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Trevor David Rhone
- Rensselaer Polytechnic Institute
Authors
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Trevor David Rhone
- Rensselaer Polytechnic Institute
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Bethany A Lusch
- Argonne National Laboratory
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Misha Salim
- Argonne National Laboratory
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Haralambos Gavras
- Rensselaer Polytechnic Institute
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Vaishnavi Neema
- Rensselaer Polytechnic Institute
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Daniel T Larson
- Harvard University
- Department of Physics, Harvard University
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Efthimios Kaxiras
- Harvard University
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