Schedule of Talks
Session 1: Tuesday, September 27, 2022, 9:00 - 10:15
9:00 — Opening Remarks
Opening Remarks 1
Ichiro Takeuchi1
1Department of Materials Science and Engineering, University of Maryland
9:05 — Opening Remarks
Opening Remarks 2
Walter Copan1
1Colorado School of Mines, Golden, CO 80401, USA
9:15 — Keynote (#1)
Opening Keynote
Xiaodong Xiang1
1Materials Genome Institute, Southern University of Science and Technology, Shenzhen, Guangdong, China
9:45 — Plenary (#2)
Theory-informed AI/ML for materials design and characterization
Maria Chan1,2
1Center for Nanoscale Materials
2Argonne National Laboratory
Session 2: Tuesday, September 27, 2022, 10:30 - 12:05
10:30 — Invited (#3)
Autonomous solid materials synthesis by machine learning and robotics
Taro Hitosugi1
1The University of Tokyo
10:50 — Contributed (#4)
Autonomous materials synthesis via hierarchical active learning of non-equilibrium phase diagrams
Maximilian Amsler1, Duncan Sutherland1, Ming-Chiang Chang1, Sebastian Ament1, Dan Guevarra2, Aine Connolly1, John M Gregoire2, Michael O Thompson1, Bruce van Dover1, Carla P Gomes1
1Cornell University
2Caltech
11:05 — Contributed (#5)
Design, demonstration, and lessons learned from a European materials acceleration platform
Monika Vogler1,2, Jonas Busk3, Hamidreza Hajiani4, Peter Bjørn Jørgensen3, Nehzat Safei4, Ivano Castelli3, Francisco Fernando Ramirez5, Johan Carlsson4, Giovanni Pizzi5, Simon Clark6, Felix Hanke7, Arghya Bhowmik3, Helge S. Stein1,2
1Helmholtz Institute Ulm (HIU), Applied Electrochemistry, Helmholtzstr. 11, 89081 Ulm, Germany
2Institute of Physical Chemistry (IPC), Karlsruhe Institute of Technology (KIT), Fritz-Haber Weg 2, 76131 Karlsruhe, Germany
3Department of Energy Conversion and Storage, Technical University of Denmark (DTU), Anker Engelunds Vej, Kgs. Lyngby DK-2800, Denmark
4Dassault Systèmes, Cologne, A-3, Germany
5Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland
6SINTEF Industry, Battery and Hydrogen Technologies, Sem Sælands Vei 12, 7034 Trondheim, Norway
7Dassault Systèmes, Cambridge, CB4 0WN, United Kingdom
11:20 — Contributed (#6)
Autonomous Spatial Mapping and Phase Detection in Low-Fidelity Samples using X-ray Diffraction
Nathan Johnson1,2, Oliver Hoidn1,2, Robert Tang-Kong2, and Apurva Mehta2
1Stanford University
2SLAC National Accelerator Laboratory
11:35 — Contributed (#7)
Probabilistic Phase Labeling Framework for Closed-loop Autonomous Experiments
Ming-Chiang Chang1, Sebastian Ament2, Maximillian Amsler1, Duncan R. Sutherland1, Lan Zhou3, John M. Gregoire3, Carla P. Gomes2, R. Bruce van Dover1, Michael O. Thompson1
1Department of Material Science and Engineering, Cornell University
2Department of Computer Science, Cornell University
3Division of Engineering and Applied Science, California Institute of Technology
11:50 — Contributed (#8)
Scalable Autonomous Physical Science
A. Gilad Kusne1
1National Institute of Standards and Technology
Session 3: Tuesday, September 27, 2022, 13:00 - 14:40
13:00 — Invited (#9)
High Throughput Development of MoWTaTiZr Refractory Multi-principal Element Alloys
Jun Cui1,2, Gaoyuan Ouyang1, Prashant Singh1, Matthew J. Kramer1, Duane Johnson1,2
1Ames Laboratory
2Iowa State University
13:20 — Invited (#10)
Combinatorial van der Waals heterostructures: rapid preparation of SnS-TaS2 layered nanocomposites
Sage Bauers1, Dennice Roberts1, Dylan Bardgett1, Brian Gorman2, John Perkins1, Andriy Zakutayev1
1National Renewable Energy Lab, Golden, Colorado 80401, USA
2Colorado School of Mines, Golden, CO 80401, USA
13:40 — Contributed (#11)
Combinatorial Material and Device Optimization of Tunable Dielectrics for Smart Microwave and Millimeter-Wave Systems
Ioanna Bakaimi1, Brian E.Hayden1,2, Kees de Groot3, Ian Reaney4, Ali Moasted4
1School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK
2Ilika Technologies, Unit 10a The Quadrangle, Abbey Park Industrial Estate, Romsey SO51 9DL
3Electronics and Computing Center, University of Southampton, Southampton SO17 1BJ, UK.
4Department of Engineering Materials, University of Sheffield, Sheffield, S1 3JD, U.K,
13:55 — Contributed (#12)
Modelling combinatorial pulsed laser deposition for high throughput material screening
Clemens Petersen1, Holger von Wenckstern1, Marius Grundmann1
1Universität Leipzig, Felix Bloch Institute for Solid State Physics, Semiconductor Physics Group, Leipzig, Germany
14:10 — Contributed (#13)
Prediction and Synthesis of Gd-rich Wurtzite Al1−xGdxN Alloys
Rebecca Smaha1, Keisuke Yazawa1, John Mangum1, Andrew Norman1, Geoff L. Brennecka2, Andriy Zakutayev1, Sage R. Bauers1, Prashun Gorai1,2, Nancy Haegel1
1National Renewable Energy Lab, Golden, Colorado 80401, USA
2Colorado School of Mines, Golden, CO 80401, USA
14:25 — Contributed (#14)
Anomalous nucleating phases in high throughput laser-spike-annealed thin film metal oxides
Duncan R. Sutherland1, Katie Gann1, Ming-Chiang Chang1, Maximilian Amsler1, Michael O. Thompson1, R. Bruce van Dover1
1Cornell University
Session 4: Tuesday, September 27, 2022, 15:00 - 16:40
15:00 — Invited (#15)
Reversible Perovskite Electrocatalysts for Oxygen Reduction / Oxygen Evolution for Fuel Cells and Metal-Air Batteries
Kieren Bradley1, Kyriakos Giagloglou1, Brian E Hayden1,2, Hugo Jungius1, Chris Vian1
1Ilika Technologies, Kenneth Dibben House, Enterprise Road, Southampton Science Park, Southampton. SO16 7NS, UK.
2Chemistry, University of Southampton, Highfield, Southampton, SO17 1BJ, UK.
15:20 — Invited (#16)
High throughput solubility determination for data-driven material design and discovery in redox flow battery research
Yangang Liang1, Heather Job1, Aaron Hollas1, Ruozhu Feng1, Wei Wang1
1Pacific Northwest National Laboratory
15:40 — Contributed (#17)
High-throughput Experimental Methods for Novel Material Research
Chengyi Wu1, Andy Huang1, Xiaoping Jiang1
1MTI Corporation
15:55 — Contributed (#18)
High Throughput Experimentation on Advanced Opto-electronic Materials
Ahmed Salaheldin Mahmoud1, Doris Segets2
1Chemspeed Technologies AG, Switzerland
2University of Duisburg-Essen, Germany
16:10 — Contributed (#19)
High-throughput electrochemistry with scanning droplet cell for battery research: challenges and prospects
Aleksei Sanin1,2, Helge Stein1,2
1Helmholtz Institute Ulm (HIU)
2Karlsruhe Institute of Technology (KIT), Institute of Physical Chemistry (IPC)
16:25 — Invited (#20)
Hideomi Koinuma1
1SCT Co., Ltd., Tokyo, Japan
Session 5: Wednesday, September 28, 2022, 9:00 - 10:05
9:00 — Invited (#21)
Natural language processing for extracting synthesis recipes and applications to autonomous laboratories
Anubhav Jain1
1Lawrence Berkeley National Laboratory
9:20 — Contributed (#22)
Prediction of nanoparticle sizes for arbitrary methacrylates using artificial neuronal networks
Julian Kimmig1, Timo Schuett1, Antje Vollrath1, Stefan Zechel1, Ulrich S. Schubert1
1Laboratory of Organic and Macromolecular Chemistry, Friedrich Schiller University Jena
9:35 — Contributed (#23)
Toward Accelerated Computational Discovery and Design of Metastable Materials
Vladan Stevanovic1,2, Felix Therrien1,2, Eric B. Jones1,2, Matthew Jankousky1,2
1Colorado School of Mines, Golden, CO 80401, USA
2National Renewable Energy Lab, Golden, Colorado 80401, USA
9:50 — Contributed (#24)
Creating Visual Research Topic Map for Materials Science Publications using Natural Language Processing (NLP)
Sae Dieb1, Keitaro Sodeyama1, Mikiko Tanifuji1
1National Institute for Materials Science (NIMS), Japan
Session 6: Wednesday, September 28, 2022, 10:20 - 12:00
10:20 — Invited (#25)
Direct synthesis of combinatorial nanostructured catalysts by glancing angle deposition (GLAD)
Hannah-Noa Barad1
1Department of Chemistry, Institute of Nanotechnology & Advanced Materials, Bar-Ilan University, Ramat Gan, Israel
10:40 — Invited (#26)
Surface Analysis in Combinatorial Thin Film Materials Development
Siarhei Zhuk1, Alexander Wieczorek1, Kerstin Thorwarth1, Jyotish Patidar1, Sebastian Siol1
1Laboratory for Surface Science and Coating Technologies, Empa – Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland
11:00 — Contributed (#27)
Materials Discovery Accelerated by Artificial Intelligence-Guided Microscopy
Steven R. Spurgeon1,2
1Energy and Environment Directorate, Pacific Northwest National Laboratory
2Department of Physics, University of Washington
11:15 — Contributed (#28)
Combinatorial Exploration of the Bi–Ni Superconducting Phase Diagram: The Role of Bi Inclusion in Superconductivity
Jihun Park1,2, Jarryd Horn2,3, Dylan Kirsch1, Rohit Pant1, Hyeok Yoon2,3, Sungha Baek2,3, Suchismita Sarker4, Apurva Mehta4, Seunghun Lee5, Richard Greene2,3, Johnpierre Paglione2,3, Ichiro Takeuchi1,2,3
1Department of Materials Science and Engineering, University of Maryland
2Maryland Quantum Materials Center, University of Maryland
3Department of Physics, University of Maryland
4Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory
5Department of Physics, Pukyong National University
11:30 — Contributed (#29)
Robotic cell assembly to accelerate battery research
Bojing Zhang1,2, Leon Merker1,2, Alexey Sanin1,2, Helge S. Stein1,2
1Helmholtz Institute Ulm (HIU), Helmholtzstr. 11, 89081 Ulm, Germany
2Institute of Physical Chemistry, Karlsruhe Institute of Technology, Karlsruhe Germany
11:45 — Contributed (#30)
Combinatorial exploration of new phase-change memory materials for neuromorphic computing applications
Heshan Yu1, Asir Intisar Khan2, Changming Wu3, Huairuo Zhang4, Albert Davydov4, Apurva Mehta5, Mo Li3, Gilad Kusne4, Eric Pop2, Ichiro Takeuchi1
1University of Maryland
2Stanford University
3University of Washington
4National Institute of Standards and Technology
5SLAC National Accelerator Laboratory
Session 7: Wednesday, September 28, 2022, 13:00 - 14:40
13:00 — Invited (#31)
Designing Materials to Revolutionize and Engineer our Future
John A. Schlueter1
1National Science Foundation
13:20 — Invited (#32)
High-throughput Computations for Power Electronics Semiconductor Discovery
Emily McDonald Garrity1,2, Cheng-Wei Lee1,2, Prashun Gorai1,2, Andriy Zakutayev1,2, Vladan Stevanović1,2
1Colorado School of Mines, Golden, CO 80401, USA
2National Renewable Energy Lab, Golden, Colorado 80401, USA
13:40 — Contributed (#33)
Combinatorial Synthesis of Ferroelectric (Al,Sc)N Thin Film
Keisuke Yazawa1,2, John Mangum1, Prashun Gorai1,2, Geoff Brennecka2, Andriy Zakutayev1
1National Renewable Energy Lab, Golden, Colorado 80401, USA
2Colorado School of Mines, Golden, CO 80401, USA
13:55 — Contributed (#34)
The largest Knowledge Graph in Materials Science - entities, relations, and link predictions through graph representation learning
Vineeth Venugopal1, Sumit Pai2, Elton Pan1, Christophe Gueret2, Elsa Olivetti1
1Massachusetts Institute of Technology
2Accenture Labs
14:10 — Contributed (#35)
Fast dopability prediction of new materials enabled by high-throughput computational framework
Cheng-Wei Lee1,2, Vladan Stevanovic1,2
1Colorado School of Mines, Golden, CO 80401, USA
2National Renewable Energy Lab, Golden, Colorado 80401, USA
14:25 — Contributed (#36)
High-Throughput DFT Dataset of Theoretical A0.5A’0.5B0.5B’0.5O3 Perovskite Oxides
Zachary J. L. Bare1, Ryan J. Morelock1, Charles B. Musgrave1
1University of Colorado Boulder
Session 8: Wednesday, September 28, 2022, 15:00 - 16:40
15:00 — Invited (#37)
Film Inflation Method to measure the viscosity and fragility of metallic glass forming liquids in high-throughput
Sebastian A. Kube1,2, Jan Schroers1
1Yale University
2University of California Santa Barbara
15:20 — Invited (#38)
Development of measurement tools for high-throughput experiments of synchrotron radiation XRD and XAFS on powder libraries
Kenjiro Fujimoto1, Akihisa Aimi1, Shingo Maruyama2
1Tokyo University of Science
2Tohoku University
15:40 — Contributed (#39)
Leveraging Reinforcement Learning for Inverse Inorganic Materials Design
Christopher Karpovich1, Elton Pan1, Zach Jensen1, Vineeth Venugopal1, Elsa Olivetti1
1Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
15:55 — Contributed (#40)
Visualizing and disentangling latent information in two-dimensional X-ray diffraction images of In-Ga-O composition spread thin films
Akihiro Yamashita1, Takashi Kono1, Shinjiro Yagyu1, Toyohiro Chikyow1, Takahiro Nagata1
1National Institute for Materials Science (NIMS), Japan
16:10 — Contributed (#41)
Composition resolution limit in thin film composition spreads
Ichiro Takeuchi1, Jie Yuan2, Qihong Chen2, Nobumichi Tamura3, and Kui Jin2
1Department of Materials Science and Engineering, University of Maryland
2Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences
3Advanced Light Source, Lawrence Berkeley National Laboratory
16:25 — Contributed (#42)
Out-of-plane permittivity characterization to 67 GHz
Meagan Papac1, Bryan Bosworth1, Nick Jungwirth1, Nate Orloff1
1National Institute of Standards and Technology
Session 9: Thursday, September 29, 2022, 9:00 - 10:15
9:00 — Plenary (#43)
Creating data management solutions that can accelerate science
Robert R. White1
1National Renewable Energy Lab, Golden, Colorado 80401, USA
9:30 — Contributed (#44)
Front-end data management system for combinatorial synthesis and high-throughput characterization of chemically-complex thermoelectric materials
James Saal1, Christopher K. H. Borg1, Eric Muckley1, Nathan Johnson2, Logan Ward3, Dylan Kirsch4, Joshua Martin4, Apurva Mehta2
1Citrine Informatics
2Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory
3Argonne National Laboratory, Data Science and Learning Division
4Material Measurement Laboratory, National Institute of Standards and Technology
9:45 — Contributed (#45)
FAIR Data for Condensed Matter Physics in Chinese Academy of Sciences
Hongming Weng1
1Institute of Physics, Chinese Academy of Sciences
10:00 — Contributed (#46)
Materials Data Infrastructure Development based on the Materials Genome Engineering Database Architecture in China
Lei Zhang1, Xue Jiang1, Jie He1, Xiaotong Zhang1, Yanjing Su1
1Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Advanced Materials and Technology, University of Science and Technology Beijing, China
Session 10: Thursday, September 29, 2022, 10:30 - 11:55
10:30 — Invited (#47)
High throughput combinatorial microwave measurements to 110 GHz
Nate Orloff1, Eric Marksz2, Ichiro Takeuchi2
1National Institute of Standards and Technology
2University of Maryland
10:50 — Invited (#48)
Combinatorial analysis of Hf-Ta system for identification of anodic memristors
Ivana Zrinski1, Cezarina Cela Mardare1, Achim Walter Hassel1, Andrei Ionut Mardare1
1Institute of Chemical Technology of Inorganic Materials, Johannes Kepler University Linz
11:10 — Contributed (#49)
Co-design of zinc titanium nitride semiconductor towards durable photoelectrochemical applications
Ann L. Greenaway1, Sijia Ke2,3, Theodore Culman1, Kevin R. Talley1, John S. Mangum1, Karen N. Heinselman1, Ryan S. Kingsbury4, Rebecca W. Smaha1, Melissa K. Gish1, Elisa M. Miller1, Kristin A. Persson3,5, John M. Gregoire6, Sage R. Bauers1, Jeffrey B. Neaton2,7,8, Adele C. Tamboli1,9, Andriy Zakutayev1
1Materials Chemical and Computational Science Directorate, National Renewable Energy Laboratory, Golden, CO 80401, USA
2Materials and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
3Department of Materials Science and Engineering, University of California Berkeley, Berkeley, CA 94720, USA
4Energy Storage and Distributed Resources Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
5Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
6Division of Engineering and Applied Science, California Institute of Technology, Pasadena, CA 91125, USA
7Department of Physics, University of California Berkeley, Berkeley, CA 94720, USA
8Kavli Energy Nanosciences Institute at Berkeley, Berkeley, CA 94720, USA
9Department of Physics, Colorado School of Mines, Golden, Colorado 80401, USA
11:25 — Contributed (#50)
Combinatorial co-sputtering yields new ternary nitrides, cation-disordered MgWN2 and Mg3WN4
Christopher Rom1,2, Rebecca Smaha2, Callan Knebel1, Karen Heinselman2, James Neilson1, Sage Bauers2, Andriy Zakutayev2
1Colorado State University, Department of Chemistry
2National Renewable Energy Lab, Golden, Colorado 80401, USA
11:40 — Contributed (#51)
Electronic state modification of (GaxIn1-x)2O3 solid solution thin film by combinatorial method
Takahiro Nagata1, Akihiro Yamashita1, Shinjiro Yagyu1, Toyohiro Chikyow1
1National Institute for Materials Science (NIMS), Japan
Session 11: Friday, September 30, 2022, 9:00 - 10:15
9:00 — Plenary (#52)
Building Closed-loop Materials Research Platforms for Future Mobility
Shijing Sun1
1Energy & Materials, Toyota Research Institute, Los Altos, CA, USA
9:30 — Contributed (#53)
Optimization of zinc titanium nitride semiconductor thin films for photoelectrochemical applications
John S. Mangum1, Sage R. Bauers1, Melissa K. Gish1, Andriy Zakutayev1, Ann L. Greenaway1
1National Renewable Energy Lab, Golden, Colorado 80401, USA
9:45 — Contributed (#54)
Machine Learning Accelerated High-throughput Experimental Optimization of Hard High-entropy Alloys
Yi Liu1, Xiaoping Jiang2
1Materials Genome Institute, Shanghai University, Shanghai 200444, China
2MTI Corporation
10:00 — Contributed (#55)
Combinatorial Search for Chlorine Evolution Electrode Catalyst using Bayesian optimization
Junpei Sakurai1, Kimihiko Sugiura1, Chiemi Oka1, Seiichi Hata1
1Nagoya University
Session 12: Friday, September 30, 2022, 10:30 - 12:00
10:30 — Invited (#56)
Discovery and Optimization of Novel Thin Film Photovoltaic Materials
Thomas Unold1
1Helmholtz-Zentrum Berlin
10:50 — Contributed (#57)
Elevated Temperature Mixing and Gradient Film Preparation for High-Throughput Experimentation of Polymer Blends
Aaron Liu1, Ezgi M. Dogan-Guner1, Michael McBride1, Rahul Venkatesh1, Miguel Gonzalez1, Elsa Reichmanis2, Martha Grover1, Carson Meredith1
1School of Chemical & Biomolecular Engineering, Georgia Institute of Technology
2Department of Chemical & Biomolecular Engineering, Lehigh University
11:05 — Contributed (#58)
Automation of polymer purification using dialysis
Timo Schuett1,2, Julian Kimmig1,2, Stefan Zechel1,2, Robert Geitner3, Ulrich S. Schubert1,2
1Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstr. 10, 07743 Jena, Germany
2Jena Center for Soft Matter (JCSM), Friedrich Schiller University Jena, Philosophenweg 7, 07743 Jena, Germany
3Institute for Chemistry and Bioengineering, Technical University Ilmenau, Weimarer Str. 32, 98693 Ilmenau
11:20 — Closing Plenary (#59)
Building a local and fully integrated materials acceleration platform for catalysts and batteries
Helge S. Stein1,2, Alexey Sanin1,2, Fuzhan Rahmanian1,2, Bojing Zhang1,2, Monika Vogler1,2, Jackson K. Flowers1,2, Leon Fischer1,2, Stefan Fuchs1,2, Nirmal Choudhary1,2, Lisa Schroeder1,2, Leah Nuss1,2
1Institute of Physical Chemistry (IPC), Karlsruhe Institute of Technology (KIT), Fritz-Haber Weg 2, 76131 Karlsruhe, Germany
2Helmholtz Institute Ulm (HIU), Helmholtzstr. 11, 89081 Ulm, Germany
11:50 — Closing Remarks