Schedule of Talks

Session 1: Tuesday, September 27, 2022, 9:00 - 10:15

9:00Opening Remarks

Opening Remarks 1

Ichiro Takeuchi1

1Department of Materials Science and Engineering, University of Maryland


9:05Opening Remarks

Opening Remarks 2

Walter Copan1

1Colorado School of Mines, Golden, CO 80401, USA


9:15Keynote (#1)

Opening Keynote

Xiaodong Xiang1

1Materials Genome Institute, Southern University of Science and Technology, Shenzhen, Guangdong, China


9:45Plenary (#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

10:30Invited (#3)

Autonomous solid materials synthesis by machine learning and robotics

Taro Hitosugi1

1The University of Tokyo


10:50Contributed (#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


11:05Contributed (#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


11:20Contributed (#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


11:35Contributed (#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


11:50Contributed (#8)

Scalable Autonomous Physical Science

A. Gilad Kusne1

1National Institute of Standards and Technology

Session 3: Tuesday, September 27, 2022, 13:00 - 14:40

13:00Invited (#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


13:20Invited (#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


13:40Contributed (#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,


13:55Contributed (#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


14:10Contributed (#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


14:25Contributed (#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

15:00Invited (#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.


15:20Invited (#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


15:40Contributed (#17)

High-throughput Experimental Methods for Novel Material Research

Chengyi Wu1, Andy Huang1, Xiaoping Jiang1

1MTI Corporation


15:55Contributed (#18)

High Throughput Experimentation on Advanced Opto-electronic Materials

Ahmed Salaheldin Mahmoud1, Doris Segets2

1Chemspeed Technologies AG, Switzerland

2University of Duisburg-Essen, Germany


16:10Contributed (#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)


16:25Invited (#20)


Hideomi Koinuma1

1SCT Co., Ltd., Tokyo, Japan

Session 5: Wednesday, September 28, 2022, 9:00 - 10:05

9:00Invited (#21)

Natural language processing for extracting synthesis recipes and applications to autonomous laboratories

Anubhav Jain1

1Lawrence Berkeley National Laboratory


9:20Contributed (#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


9:35Contributed (#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


9:50Contributed (#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

10:20Invited (#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


10:40Invited (#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


11:00Contributed (#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


11:15Contributed (#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


11:30Contributed (#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


11:45Contributed (#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

13:00Invited (#31)

Designing Materials to Revolutionize and Engineer our Future

John A. Schlueter1

1National Science Foundation


13:20Invited (#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


13:40Contributed (#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


13:55Contributed (#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


14:10Contributed (#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


14:25Contributed (#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

15:00Invited (#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


15:20Invited (#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


15:40Contributed (#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


15:55Contributed (#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


16:10Contributed (#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


16:25Contributed (#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

9:00Plenary (#43)

Creating data management solutions that can accelerate science

Robert R. White1

1National Renewable Energy Lab, Golden, Colorado 80401, USA


9:30Contributed (#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


9:45Contributed (#45)

FAIR Data for Condensed Matter Physics in Chinese Academy of Sciences

Hongming Weng1

1Institute of Physics, Chinese Academy of Sciences


10:00Contributed (#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

10:30Invited (#47)

High throughput combinatorial microwave measurements to 110 GHz

Nate Orloff1, Eric Marksz2, Ichiro Takeuchi2

1National Institute of Standards and Technology

2University of Maryland


10:50Invited (#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

11:10Contributed (#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


11:25Contributed (#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


11:40Contributed (#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

9:00Plenary (#52)

Building Closed-loop Materials Research Platforms for Future Mobility

Shijing Sun1

1Energy & Materials, Toyota Research Institute, Los Altos, CA, USA


9:30Contributed (#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


9:45Contributed (#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


10:00Contributed (#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

10:30Invited (#56)

Discovery and Optimization of Novel Thin Film Photovoltaic Materials

Thomas Unold1

1Helmholtz-Zentrum Berlin


10:50Contributed (#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


11:05Contributed (#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


11:20Closing 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


11:50Closing Remarks