Computational Design and Discovery of Novel Materials VI: Machine Learning and High Throughput Computing
FOCUS · W43 · ID: 354451
Presentations
-
New tools for detecting strong correlation in automated transition metal complex screening
Invited
–
Presenters
-
Fang Liu
Massachusetts Institute of Technology MIT
Authors
-
Fang Liu
Massachusetts Institute of Technology MIT
-
Chenru Duan
Massachusetts Institute of Technology MIT
-
Heather J Kulik
Massachusetts Institute of Technology MIT
-
-
High-throughput Design of Lead-free Organic-inorganic Lead Halide Semiconductors Beyond Perovskites
ORAL
–
Presenters
-
Kesong Yang
University of California, San Diego
Authors
-
Kesong Yang
University of California, San Diego
-
Yuheng Li
University of California, San Diego
-
-
Perovskite Genomics: Optimizing the performance of large sets of perovskite materials with atomistic simulations
ORAL
–
Presenters
-
Gianaurelio Cuniberti
Chair Materials Science and Nanotechnology, TU Dresden
Authors
-
Gianaurelio Cuniberti
Chair Materials Science and Nanotechnology, TU Dresden
-
Hagen Eckert
Chair Materials Science and Nanotechnology, TU Dresden
-
Florian Pump
Chair Materials Science and Nanotechnology, TU Dresden
-
Josua Vieten
Institute of Solar Research, German Aerospace Center (DLR)
-
Martin Roeb
Institute of Solar Research, German Aerospace Center (DLR)
-
Christian Sattler
Institute of Solar Research, German Aerospace Center (DLR)
-
-
Computational discovery of semiconducting high-entropy chalcogenide alloys
ORAL
–
Presenters
-
Zihao Deng
Univ of Michigan - Ann Arbor
Authors
-
Zihao Deng
Univ of Michigan - Ann Arbor
-
Logan Williams
Univ of Michigan - Ann Arbor
-
Guangsha Shi
Univ of Michigan - Ann Arbor
-
Emmanouil Kioupakis
Univ of Michigan - Ann Arbor, University of Michigan
-
-
High-throughput discovery of metal-organic frameworks for cooperative CO2 adsorption
ORAL
–
Presenters
-
Eric Taw
Chemical Engineering, University of California, Berkeley
Authors
-
Eric Taw
Chemical Engineering, University of California, Berkeley
-
Jeffrey R Long
Chemistry, University of California, Berkeley, University of California, Berkeley, Lawrence Berkeley National Laboratory
-
Jeffrey B Neaton
Lawrence Berkeley National Laboratory, Physics, UC Berkeley, Kavli Energy Nanoscience Institute at Berkeley, Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, University of California, Berkeley; Molecular Foundry, Lawrence Berkeley National Laboratory; Kavli Energy Nanosciences Institute at Berkeley, University of California, Berkeley, Lawrence Berkeley National Lab
-
Maciej Haranczyk
IMDEA Institute
-
-
Machine Learning Accelerated Discovery of Mixed Anion Materials
ORAL
–
Presenters
-
Jiahong Shen
Northwestern University
Authors
-
Jiahong Shen
Northwestern University
-
Cheol Woo Park
Northwestern University
-
Jiangang He
Northwestern University
-
Christopher Mark Wolverton
Northwestern University
-
-
High-throughput Computational Study of Double Perovskite Oxides
ORAL
–
Presenters
-
Jiangang He
Northwestern University
Authors
-
Jiangang He
Northwestern University
-
Christopher Mark Wolverton
Northwestern University
-
-
Automated phase mapping of high throughput X-ray diffraction data
ORAL
–
Presenters
-
Yizhou Zhu
Northwestern University
Authors
-
Yizhou Zhu
Northwestern University
-
Christopher Mark Wolverton
Northwestern University
-
-
High-throughput Exploration of Ternary Electrides
ORAL
–
Presenters
-
John Lasseter
Center for Basic and Applied Sciences, Middle Tennessee State University, Murfreesboro TN 37132, U.S.A.
Authors
-
John Lasseter
Center for Basic and Applied Sciences, Middle Tennessee State University, Murfreesboro TN 37132, U.S.A.
-
Mina Yoon
Center for Nanophase Materials Science, Oak Ridge National Laboratory, Oak Ridge, TN 37831, U.S.A., Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, CNMS, Oak Ridge National Lab, Oak Ridge National Lab
-
-
High-throughput screening and classification of layered di-metal chalcogenides
ORAL
–
Presenters
-
Jinchen Wei
East China Normal University
Authors
-
Jinchen Wei
East China Normal University
-
Chao Wang
East China Normal University
-
Tao Zhang
East China Normal University
-
Chenmin Dai
East China Normal University
-
Shiyou Chen
East China Normal University
-
-
Effect of a Parameter in a Descriptor on the Efficiency of a Crystal Structure Search Using Bayesian Optimization
ORAL
–
Presenters
-
Nobuya Sato
National Institute of Advanced Industrial Science and Technology
Authors
-
Nobuya Sato
National Institute of Advanced Industrial Science and Technology
-
Tomoki Yamashita
National Institute for Materials Science
-
Tamio Oguchi
Osaka University, Institute of Scientific and Industrial Research Osaka University
-
Koji Hukushima
The University of Tokyo
-
Takashi Miyake
National Institute of Advanced Industrial Science and Technology, AIST
-
-
An active-learning framework for the discovery of new crystalline materials
ORAL
–
Presenters
-
Kirsten Winther
Chemical Engineering, Stanford University
Authors
-
Kirsten Winther
Chemical Engineering, Stanford University
-
Raul Flores
Chemical Engineering, Stanford University
-
Christopher Paolucci
Chemical Engineering, University of Virginia
-
Ankit Jain
Mechanical Engineering, IIT Bombay
-
Michal Bajdich
SUNCAT, SLAC National Accelerator Laboratory, SLAC - Natl Accelerator Lab
-
Thomas bligaard
Department of Energy, Technical University of Denmark
-
-
Unraveling nanoscale features controlling the diffusion of multi-component alloys through machine learning methods
ORAL
–
Presenters
-
S. Mohadeseh Taheri-Mousavi
Massachusetts Institute of Technology MIT
Authors
-
S. Mohadeseh Taheri-Mousavi
Massachusetts Institute of Technology MIT
-
S. Sina Moeini-Ardakani
Massachusetts Institute of Technology MIT
-
Ryan W. Penny
Massachusetts Institute of Technology MIT
-
Ju Li
Massachusetts Institute of Technology MIT
-
John Hart
Massachusetts Institute of Technology MIT, Mechanical Engineering, Massachusetts Institute of Technology
-