AI for Materials Discovery II
ORAL · MAR-S37 · ID: 3091519
Presentations
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Equivariant Multimodal Materials Modeling Using Spectroscopic and Ab-Initio Data
ORAL
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Presenters
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Max Aalto
- Massachusetts Institute of Technology
Authors
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Max Aalto
- Massachusetts Institute of Technology
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Tess E Smidt
- Massachusetts Institute of Technology
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Active learning spectral function using Bayesian Neural Network and Gaussian process
ORAL
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Presenters
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Niraj Aryal
- Brookhaven National Laboratory (BNL)
Authors
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Niraj Aryal
- Brookhaven National Laboratory (BNL)
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Unveiling intermediate metallicity in epitaxial VO2 using nano-spectroscopy aided by machine learning
ORAL
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Presenters
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Alyssa Bragg
- University of Minnesota
Authors
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Alyssa Bragg
- University of Minnesota
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Elihu Anouchi
- Bar Ilan University
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Liam Thompson
- University of Minnesota
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William Cho
- University of Minnesota
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Nitzan Yehudit Hirshberg
- University of Minnesota
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Brayden Lukaskawcez
- University of Minnesota
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Devon Uram
- University of Minnesota
- Harvard University
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Madison Garber
- University of Minnesota
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Hayden Binger
- University of Minnesota
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Amos Sharoni
- Bar Ilan University
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Alexander S McLeod
- University of Minnesota
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Predicting inelastic neutron scattering spectra from the crystal structure via data-driven approach
ORAL
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Presenters
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Bowen Han
- Oak Ridge National Laboratory
Authors
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Bowen Han
- Oak Ridge National Laboratory
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Yongqiang Cheng
- Oak Ridge National Lab
- Oak Ridge National Laboratory
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A Universal Deep Learning Framework for Materials X-ray Absorption Spectra
ORAL
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Publication: arXiv:2409.19552
Presenters
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Deyu Lu
- Brookhaven National Laboratory (BNL)
Authors
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Deyu Lu
- Brookhaven National Laboratory (BNL)
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Shubha Kharel
- Brookhaven National Laboratory
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Xiaohui Qu
- Brookhaven National Laboratory (BNL)
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Fanchen Meng
- Brookhaven National Laboratory (BNL)
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Matthew R Carbone
- Brookhaven National Lab
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Machine Learning Analysis of high-dimensional ARPES Data for Nd<sub>1-x</sub>Sr<sub>x</sub>NiO<sub>3</sub>
ORAL
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Presenters
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Yu Zhang
- University of Florida
Authors
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Yu Zhang
- University of Florida
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Yong Zhong
- Stanford University
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Nhat Huy Mai Tran
- University of Florida
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Shuyi Li
- University of Florida
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Kyuho Lee
- Stanford University
- Massachusetts Institute of Technology
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Harold Y Hwang
- Stanford University
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Zhi-Xun Shen
- Stanford University
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Chunjing Jia
- University of Florida
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Designing Materials for Catalysis via Systematic Experiments and Artificial Intelligence
ORAL
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Publication: G. Bellini et al., Angew. Chem. Int. Ed., DOI: 10.1002/anie.202417812
Presenters
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Lucas Foppa
- Fritz Haber Institute of the Max Planck Society
- The NOMAD Laboratory at FHI, Max Planck Society
Authors
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Lucas Foppa
- Fritz Haber Institute of the Max Planck Society
- The NOMAD Laboratory at FHI, Max Planck Society
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Matthias Scheffler
- The NOMAD Laboratory at FHI, Max Planck Society
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Material Mapping Using Experimental Data and Crystal Graph Neural Networks
ORAL
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Publication: Jia, X., Aziz, A., Hashimoto, Y. et al. Dealing with the big data challenges in AI for thermoelectric materials. Sci. China Mater. 67, 1173–1182 (2024).
Presenters
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Yusuke Hashimoto
- FRIS, Tohoku University
Authors
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Yusuke Hashimoto
- FRIS, Tohoku University
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Xue Jia
- AIMR, Tohoku University
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Hao Li
- AIMR, Tohoku University
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Takaaki Tomai
- FRIS, Tohoku University
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Real-time Autonomous Optimization of Thin Film Growth
ORAL
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Publication: 1] Xu. X, Wang. W. Multiferroic hexagonal ferrites (h-RFeO3, R = Y, Dy-Lu): a brief experimental review.
Mod. Phys. Lett. B. 28 (21) (2014).
[2] H. Yokota, T. Nozue, S. Nakamura, M. Fukunaga, and A. Fuwa, Examination of Ferroelectric and
Magnetic Properties of Hexagonal ErFeO3 Thin Films, Jpn. J. Appl. Phys. 54, 10NA10 (2015).
[3] K. K. Sinha, Growth and Characterization of Hexagonal Rare-Earth Ferrites (h-RFeO3; R = Sc, Lu, Yb),
The University of Nebraska - Lincoln PP - United States -- Nebraska, 2018.
[4] J. Kasahara, T. Katayama, S. Mo, A. Chikamatsu, Y. Hamasaki, S. Yasui, M. Itoh, and T. Hasegawa,
Room-Temperature Antiferroelectricity in Multiferroic Hexagonal Rare-Earth Ferrites, ACS Appl. Mater.
Interfaces 13, 4230 (2021).
[5] J. M. Costantini, T. Ogawa, A. S. I. Bhuian, and K. Yasuda, Cathodoluminescence Induced in Oxides by
High-Energy Electrons: Effects of Beam Flux, Electron Energy, and Temperature, J. Lumin. 208, 108
(2019).
[6] Liang. H. et al. Application of machine learning to reflection high-energy electron diffraction images
for automated structural phase mapping. Phys. Rev. Materials. 6, 063805 (2022).
[7] Wang. A. et al. Benchmarking active learning strategies for materials optimization and discovery.
Oxford Open Materials Science, 2 (1) (2022).
[8] Kusne. A. G. et al. On-the-fly closed-loop materials discovery via Bayesian active learning. Nat.
Commun. 2020 111 11, 1–11 (2020).Presenters
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Haotong Liang
- University of Maryland College Park
Authors
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Haotong Liang
- University of Maryland College Park
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Ryan S Paxson
- University of Maryland
- University of Maryland, College Park
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Yunlong Sun
- The University of Tokyo
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Aaron Kusne
- University of Maryland College Park
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Mikk Lippmaa
- The University of Tokyo
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Ichiro Takeuchi
- University of Maryland College Park
- University of Maryland
- University of Maryland, College Park
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A structure-informed machine learning approach for understanding superconductivity
ORAL
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Presenters
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YANJUN LIU
- Cornell University
Authors
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YANJUN LIU
- Cornell University
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Krishnanand M Mallayya
- Cornell University
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Omri Lesser
- Cornell University
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Natalie Maus
- University of Pennsylvania
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Jacob R Gardner
- University of Pennsylvania
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Alexander Terenin
- Cornell University
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Eun-Ah Kim
- Cornell University
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Machine learning guided study of BCS superconductors
ORAL
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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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Dylan Sheils
- Rensselaer Polytechnic Institute
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Yoshiharu Krockenberger
- NTT Basic Research Labs
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Optimizing Feature Space for Small or Lower-Quality Data: A Case-Study in Charge Carrier Mobility
ORAL
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Presenters
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Thomas A R Purcell
- University of Arizona
Authors
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Thomas A R Purcell
- University of Arizona
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Yi Yao
- The NOMAD Laboratory at the FHI of the MPS and MS1P e.V. Berlin
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Raushan Anjum
- University of Arizona
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Matthias Scheffler
- The NOMAD Laboratory at FHI, Max Planck Society
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