BOOK CHAPTERS

Suram, S. K.; Pesenson, M. Z.; Gregoire, J. M., High Throughput Combinatorial Experimentation + Informatics = Combinatorial Science. In Information Science for Materials Discovery and Design, Lookman, T.; Alexander, F. J.; Rajan, K., Eds. Springer International Publishing: 2016; Vol. 225, pp 271-300.

Gregoire, J.; Boyd, D. A.; Guevarra, D.; Haber, J. A.; Jones, R.; Kan, K.; Marcin, M.; Newhouse, P. F.; Shinde, A.; Soedarmadji, E.; Suram, S. K.; Zhou, L., High Throughput Experimentation for the Discovery of Water Splitting Materials. In Integrated Solar Fuel Generators, Lewerenz, H.-J.; Atwater, H. A.; Sharp, I. D., Eds. Royal Society of Chemistry: in press (co-authors in alphabetical order).

ARTICLES

1. Yan, Q.; Yu, J.; Suram, S.K.; Zhou, L.; Shinde, A.; Newhouse, P.F.; Chen, W.; Persson, K.A.; Gregoire, J.M.; Neaton, J.B. Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment. PNAS 2017 114: 3040-3043.

2. Suram, S. K.; Xue, Y.; Bai, J.; LeBras, R.; Rappazzo, B. H.; Bernstein, R.; Bjorck, J.; Zhou, L.; van Dover, R. B.; Gomes, C. P.; Gregoire, J. M., Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V-Mn-Nb Oxide System. ACS Comb. Sci., 2017, 19 (1), pp 37–46. (COVER ARTICLE & EDITOR’S CHOICE ARTICLE).

3. Suram, S. K.; Newhouse, P. F.; Zhou, L.; Van Campen, D. G.; Mehta, A.; Gregoire, J. M., High Throughput Light Absorber Discovery, Part 2: Establishing Structure-Band Gap Energy Relationships. ACS Comb. Sci., 2016, 18 (11), pp 682–688. (EDITOR’S CHOICE ARTICLE).

4. Suram, S. K.; Newhouse, P. F.; Gregoire, J. M., High Throughput Light Absorber Discovery, Part 1: An Algorithm for Automated Tauc Analysis. ACS Comb. Sci., 2016, 18 (11), pp 673–681. (EDITOR’S CHOICE ARTICLE).

5. Shinde, A.; Li, G.; Zhou, L.; Guevarra, D.; Suram, S. K.; Toma, F. M.; Yan, Q.; Haber, J. A.; Neaton, J. B.; Gregoire, J. M., The role of the CeO2/BiVO4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes. J. Mater. Chem. A 2016, 4, (37), 14356-14363.

6. Guevarra, D.; Shinde, A.; Suram, S. K.; Sharp, I. D.; Toma, F. M.; Haber, J. A.; Gregoire, J. M., Development of solar fuels photoanodes through combinatorial integration of Ni–La–Co–Ce oxide catalysts on BiVO4. Energy Environ. Sci. 2016, 9, (2), 565-580.

7. Zhou, L.; Yan, Q.; Yu, J.; Jones, R. J.; Becerra-Stasiewicz, N.; Suram, S. K.; Shinde, A.; Guevarra, D.; Neaton, J. B.; Persson, K. A.; Gregoire, J. M., Stability and self-passivation of copper vanadate photoanodes under chemical, electrochemical, and photoelectrochemical operation. Phys Chem Chem Phys 2016, 18, (14), 9349-52.

8. Zhou, L.^b; Suram, S. K.^b; Becerra-Stasiewicz, N.; Mitrovic, S.; Kan, K.; Jones, R. J. R.; Gregoire, J. M., Combining reactive sputtering and rapid thermal processing for synthesis and discovery of metal oxynitrides. Journal of Materials Research 2015, 30, (19), 2928-2933 (b: equal contribution authors). b: Equal Contribution authors

9. Suram, S. K.; Haber, J. A.; Jin, J.; Gregoire, J. M., Generating information-rich high-throughput experimental materials genomes using functional clustering via multitree genetic programming and information theory. ACS combinatorial science 2015, 17, (4), 224-33 (COVER ARTICLE).

10. Pesenson, M. Z.; Suram, S. K.; Gregoire, J. M., Statistical analysis and interpolation of compositional data in materials science. ACS combinatorial science 2015, 17, (2), 130-6 (COVER ARTICLE).

11. Suram, S. K.; Zhou, L.; Becerra-Stasiewicz, N.; Kan, K.; Jones, R. J. R.; Kendrick, B. M.; Gregoire, J. M., Combinatorial thin film composition mapping using three dimensional deposition profiles. Review of Scientific Instruments 2015, 86, (3), 033904-033904.

12. Mitrovic, S.; Cornell, E. W.; Marcin, M. R.; Jones, R. J.; Newhouse, P. F.; Suram, S. K.; Jin, J.; Gregoire, J. M., High-throughput on-the-fly scanning ultraviolet-visible dual-sphere spectrometer. The Review of scientific instruments 2015, 86, (1), 013904.

13. Mitrovic, S.; Soedarmadji, E.; Newhouse, P. F.; Suram, S. K.; Haber, J. A.; Jin, J.; Gregoire, J. M., Colorimetric screening for high-throughput discovery of light absorbers. ACS combinatorial science 2015, 17, (3), 176-81.

14. Ermon, S.; Bras, R. L.; Suram, S. K.; Gregoire, J. M.; Gomes, C. P.; Selman, B.; Dover, R. B. v., Pattern decomposition with complex combinatorial constraints: application to materials discovery. In Proceedings of the Twenty-Ninth AAAI Conference on Artificial Intelligence, AAAI Press: Austin, Texas, 2015; pp 636-643.

15. Xiang, C.; Suram, S. K.; Haber, J. a.; Guevarra, D. W.; Soedarmadji, E.; Jin, J.; Gregoire, J. M., High-throughput bubble screening method for combinatorial discovery of electrocatalysts for water splitting. ACS combinatorial science 2014, 16, 47-52 (COVER ARTICLE).

16. Gregoire, J. M.; Van Campen, D. G.; Miller, C. E.; Jones, R. J.; Suram, S. K.; Mehta, A., High-throughput synchrotron X-ray diffraction for combinatorial phase mapping. Journal of synchrotron radiation 2014, 21, (Pt 6), 1262-8.

17. Gregoire, J. M.; Haber, J. A.; Mitrovic, S.; Xiang, C.; Suram, S.; Newhouse, P. F.; Soedarmadji, E.; Marcin, M.; Kan, K.; Guevarra, D.; Jones, R.; Becerra, N.; Cornell, E. W.; Jin, J., Enabling Solar Fuels Technology With High Throughput Experimentation. MRS Proceedings 2014, 1654.

18. Bras, R. L.; Bernstein, R.; Gregoire, J. M.; Suram, S. K.; Gomes, C. P.; Selman, B.; Dover, R. B. V., A computational challenge problem in materials discovery: synthetic problem generator and real-world datasets. In Proceedings of the Twenty-Eighth AAAI Conference on Artificial Intelligence, AAAI Press: Quebec City, Quebec, Canada, 2014; pp 438-443.

19. Suram, S. K.; Rajan, K., Calibration of reconstruction parameters in atom probe tomography using a single crystallographic orientation. Ultramicroscopy 2013, 132, 136-42.

20. Samudrala, S.; Wodo, O.; Suram, S. K.; Broderick, S.; Rajan, K.; Ganapathysubramanian, B., A graph-theoretic approach for characterization of precipitates from atom probe tomography data. Computational Materials Science 2013, 77, 335-342.

21. M.J. Cohen; L. Gordon; S. Suram; K. Kaluskar; K. Rajan; J.W. Valley; Joester, D., Constraining Atom Probe Tomography Reconstructions of Crystalline Oxides. Microscopy and Microanalysis 2013, 19, (2), 1010-1011.

22. Bryden, A.; Broderick, S.; Suram, S. K.; Kaluskar, K.; LeSar, R.; Rajan, K., Interactive visualization of APT data at full fidelity. Ultramicroscopy 2013, 132, 129-35.

23. Broderick, S. R.; Bryden, A.; Suram, S. K.; Rajan, K., Data mining for isotope discrimination in atom probe tomography. Ultramicroscopy 2013, 132, 121-8.

24. Suram, S. K.; Rajan, K., Refining spatial distribution maps for atom probe tomography via data dimensionality reduction methods. Microsc Microanal 2012, 18, (5), 941-52.

25. Gordon, L.; Joester, D.; Suram, S.; Kaluskar, K.; Rajan, K., Atom Probe Tomography of Organic/Inorganic Interfaces in Biominerals. Microscopy and Microanalysis 2012, 18, (S2), 1608-1609.

26. Suram, S. K.; Rajan, K., Informatics for Quantitative Analysis of Atom Probe Tomography Images. MRS Proceedings 2011, 1231.

INVITED TALKS/SEMINARS

1. Santosh K. Suram, Materials Discovery using High-Throughput Experimentation and Materials Informatics: Application to Solar Fuels Generators, GaTech, Atlanta, USA (2015).

2. Santosh K. Suram, High-Throughput Experimentation for Solar Fuels Discovery, Ruhr-Universitat Bochum, Bochum, Germany (2015).

3. Santosh K. Suram, Role of Combinatorial Materials Science and Informatics for Accelerated Materials Discovery, IIT-Hyderabad, Hyderabad, India (2014).

4. Santosh K. Suram and John M. Gregoire, High Throughput Experimentation for Solar Fuels Applications, The 8th International Workshop on Combinatorial Materials Science and Technology (Combi14), Cairns, Australia (2014).

5. Santosh K. Suram, Computing Challenges for Materials Discovery, OSG All Hands Meeting 2014, San Jose, California, USA. (2014).

6. Santosh K. Suram, High Throughput Discovery of Solar Fuels Materials, Ames Laboratory, Ames, IA (2013)

SELECT CONTRIBUTED TALKS

1. Santosh K. Suram, Lan Zhou, Yexiang Xue, Junwen Bai, Ronan Le Bras, Sean Fackler, Walter Drisdell, Alpha N'Diaye, Apurva Mehta, Junko Yano, Robert Van Dover, Carla Gomes, and John Gregoire. Accelerated Discovery of Solar Fuels Materials by Integrating High Throughput Characterization and Machine Learning Techniques. 2017 MRS Spring Meeting, Phoenix, Arizona, USA.

2. Santosh K. Suram, Qimin Yan, Jie Yu, Lan Zhou, Aniketa Shinde, Paul Newhouse, Wei Chen, Guo Li, Kristin Persson, Jeffrey Neaton, and John Gregoire. Discovery of Solar Fuels Photoanode Materials by Integrating High-Throughput Theory and Experiment. 2017 MRS Spring Meeting, Phoenix, Arizona, USA.

3. Santosh K. Suram, Lan Zhou, Paul F. Newhouse, David A. Boyd, Joel A. Haber and John M. Gregoire, Knowledge Driven High-Throughput Research using High-Throughput Characterization and Informatics: application to solarfuels discover, sixth international conference on combinatorial materials research (2015), Ghent, Belgium.

4. Santosh K. Suram, Joel A. Haber, Dan Guevarra and John M. Gregoire, Materials Informatics Enabled High-Throughput Combinatorial Experimentation, 8th International Workshop on Combinatorial Materials Science and Technology (Combi14) (2014), Cairns, Australia.

5. Santosh K. Suram, Lan Zhou, Prineha Narang, Natalie A Becerra, Chengxiang Xiang, Slobodan Mitrovic, Harry A Atwater and John M. Gregoire, High-throughput combinatorial synthesis and discovery of earth abundant transition metal oxynitride photo-absorbers, 2014 MRS Spring Meeting, San Francisco, California, USA.

6. Santosh K. Suram, Jian Jin and John M. Gregoire, Materials Informatics Based Integration Of High-Throughput Approaches And Directed Research Efforts Information Science for Materials Discovery and Design 2014, Santa Fe, New Mexico, USA.

7. Santosh K. Suram, Earl Cornell, Dan Guevarra, Joel Haber, Jian Jin, Kevin Kan, Martin Marcin, Slobodan Mitrovic, Paul Newhouse, Chengxiang Xiang and John M. Gregoire, Materials Informatics Based Integration of High Throughput Approaches and Directed Research Efforts for Accelerated Discovery of Materials, 2013 MRS Fall Meeting, Boston, Massachusetts, USA.

8. Santosh K. Suram and Krishna Rajan, Calibration of Reconstruction Parameters in Atom Probe Tomography using a Single Crystallographic Orientation, 53rd International Field Emission Symposium 2012, Tuscaloosa, Alabama, USA.

9. Santosh K. Suram and Krishna Rajan, Quantification of Spatial Resolutions Standards in APT, CAMECA Atom Probe Users Meeting, 2011, Madison, WI.

10. Santosh K. Suram and Krishna Rajan, Classification via Spectral Informatics, Workshop on micro-XRF analysis of chemically complex materials, 2010, Ames, IA.

11. Santosh K. Suram and Krishna Rajan, Informatics for Quantitative Analysis of Atom Probe Tomography Images. 2009 MRS Fall Meeting and Exhibit, Boston, MA.