Computational Discovery and Design of Novel Materials III
FOCUS · C1 ·
Presentations
-
Construction of interatomic potentials for multicomponent systems with stratified neural networks
ORAL
–
Authors
-
Samad Hajinazar
- State Univ of NY - Binghamton
- Binghamton University
-
Aleksey Kolmogorov
- State Univ of NY - Binghamton
- Binghamton University
-
-
High-dimensional artificial neural network potentials for boron and its application to searching for new structures
ORAL
–
Authors
-
Woohyun Han
- Department of Physics, Korea Advanced Institute of Science and Technology
-
In-Ho Lee
- 2Korea Research Institute of Standards and Science
-
Keejoo Chang
- Dept. Physics, Korea Advanced Institute of Science and Technology
- Department of Physics, Korea Advanced Institute of Science and Technology
-
-
Sampling Models for Machine Learned Atomistic Potentials - The Case of Water
ORAL
–
Authors
-
Amber Maharaj
- University of Ontario, Institute of Technology
-
Isaac Tamblyn
- University of Ontario, Institute of Technology, National Research Council of Canada
-
-
Many-Body Tensor Representation for Machine Learning of Materials
COFFEE_KLATCH · Invited
–
Authors
-
Matthias Rupp
- Fritz Haber Institute of the Max Planck Society
-
-
Simulating Strongly Anharmonic and Mechanically Unstable Crystals at Finite Temperature
ORAL
–
Authors
-
John C. Thomas
- Materials Department, University of California - Santa Barbara
-
Anton Van der Ven
- Univ of California - Santa Barbara
- University of California, Santa Barbara
- Materials Department, University of California - Santa Barbara
-
-
Discovery of Novel Oxides Using Machine Learning and First-Principles Calculations
ORAL
–
Authors
-
Antoine Emery
- Northwestern Univ
-
Logan Ward
- Northwestern Univ
-
Chris Wolverton
- Northwestern University
- Material Science and Engineering Department, Northwestern University
- Northwestern Univ
-
-
Large-scale high-throughput computer-aided discovery of advanced materials using cloud computing
ORAL
–
Authors
-
Timur Bazhirov
- Exabyte Inc.
-
Mohammad Mohammadi
- Exabyte Inc.
-
Kevin Ding
- Intermolecular Inc.
-
Sergey Barabash
- Intermolecular Inc.
-
-
Finding patterns, correlations, and descriptors in materials-science data using subgroup discovery
ORAL
–
Authors
-
Mario Boley
- Fritz Haber Institute of the Max Planck Society
-
Bryan R. Goldsmith
- Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany
- Fritz Haber Institute of the Max Planck Society
-
Jilles Vreeken
- Max Planck Institute for Informatics
-
Luca M. Ghiringhelli
- Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany
- Fritz Haber Institute of the Max Planck Society
-
Matthias Scheffler
- Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, DE
- Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany
- Fritz-Haber-Institut der MPG, Berlin, DE
- Fritz Haber Institute of the Max Planck Society
-
-
Pareto fronts for multiobjective optimization design on materials data
ORAL
–
Authors
-
Abhijith Gopakumar
- Los Alamos Natl Lab
-
Prasanna Balachandran
- Los Alamos National Laboratory
- Los Alamos Natl Lab
-
James E. Gubernatis
- Los Alamos Natl Lab
- Theoretical Division, Los Alamos National Laboratory
- Los Alamos National Laboratory
-
Turab Lookman
- Los Alamos National Laboratory
- Los Alamos Natl Lab
-
-
Lead-free Halide Perovskites via Functionality-directed Materials Screening
ORAL
–
Authors
-
Lijun Zhang
- Jilin University, China
-
Dongwen Yang
- Jilin University, China
-
Jian Lv
- Jilin University, China
-
Xingang Zhao
- Jilin University, China
-
Ji-Hui Yang
- Rice University, USA
-
Liping Yu
- Temple University, USA
-
Su-Huai Wei
- Beijing Computational Science Research Center, China
-
Alex Zunger
- University of Colorado, USA
-
-
Designing Semiconductor Heterostructures Using Digitally Accessible Electronic-Structure Data
ORAL
–
Authors
-
Ethan Shapera
- Department of Physics, UIUC
-
Andre Schleife
- Department of Materials Science and Engineering, UIUC
-
-
A Data-Driven Approach for Characterization of Ternary Al(fcc)-Al$_{2}$Cu(tet)-Ag$_{2}$Al(hcp) Eutectic Alloys
ORAL
–
Authors
-
Irmak Sargin
- Washington State Univ
-
Scott Beckman
- Washington State Univ
- Washington State University
-
-
Ab initio Studies of Filling-enforced Nodal Semimetals
ORAL
–
Authors
-
Ru Chen
- Lawrence Berkeley National Laboratory
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL
- Lawrence Berkeley National Lab; University of California, Berkeley
-
Hoi Chun Po
- Harvard University; University of California, Berkeley
-
Jeffrey B. Neaton
- Lawrence Berkeley National Lab; University of California, Berkeley
-
Ashvin Vishwanath
- Harvard University; University of California, Berkeley
-