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Dive into the research topics where Science of Advanced Materials is active. These topic labels come from the works of this organization's members. Together they form a unique fingerprint.
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Profiles
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Lattice Instabilities, Emergent Electronic Phases and Collective Behavior Rooted in the Quantum World
06/1/21 → 05/31/24
Project: Research
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SusChEM: Collaborative Research: Holey Reduced-Graphene-Oxide Film for Na-Ion Battery Anode
08/1/13 → 07/31/17
Project: Research
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Critical new perspectives on molybdenum cycling under modern and experimental euxinic conditions: Tuning the paleoredox proxy
Lyons, T. T. W. & Chappaz, A.
10/1/11 → 09/30/15
Project: Research
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RUI: Precursor Design and Atomic Layer Deposition of High-k Dielectric Thin Films
08/1/09 → 07/31/13
Project: Research
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Materials World Network: An International Collaborative Educational and Research Program in the Study of Mixed Glass Former Phenomena in Materials
Martin, S. S. W., Dieckmann, R. R. & Petkov, V.
08/15/07 → 07/31/13
Project: Research
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Acquisition of a Cluster of Advanced Symmetric Multiprocessing Computers for High Performance Scientific Calculations
Horoi, M., Hirschi, S. S., Jackson, K., Orf, L. L. & Fornari, M.
09/1/06 → 02/29/08
Project: Research
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NIRT: FRG: Structure of Nanocrystals
Billinge, S. J. L. S. J., Thorpe, M. M. F., Kanatzidis, M. M. G. & Petkov, V.
08/1/03 → 07/31/08
Project: Research
Research output
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aflow++: A C++ framework for autonomous materials design
Oses, C., Esters, M., Hicks, D., Divilov, S., Eckert, H., Friedrich, R., Mehl, M. J., Smolyanyuk, A., Campilongo, X., van de Walle, A., Schroers, J., Kusne, A. G., Takeuchi, I., Zurek, E., Nardelli, M. B., Fornari, M., Lederer, Y., Levy, O., Toher, C. & Curtarolo, S., Jan 25 2023, In: Computational Materials Science. 217, 111889.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
Downward quantum learning from element 118: Automated generation of Fermi-Löwdin orbitals for all atoms
Pederson, M. R., Johnson, A. I., Withanage, K. P. K., Dolma, S., Flores, G. B., Hooshmand, Z., Khandal, K., Lasode, P. O., Baruah, T. & Jackson, K. A., Feb 28 2023, In: Journal of Chemical Physics. 158, 8, 084101.Research output: Contribution to journal › Article › peer-review
Open Access -
How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions?
Shukla, P. B., Mishra, P., Baruah, T., Zope, R. R., Jackson, K. A. & Johnson, J. K., Feb 23 2023, In: Journal of Physical Chemistry A. 127, 7, p. 1750-1759 10 p.Research output: Contribution to journal › Article › peer-review
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Lattice distortions and the metal-insulator transition in pure and Ti-substituted Ca3Ru2O7
Petkov, V., Rao, T. D., Zafar, A., Abeykoon, A. M. M., Fletcher, E., Peng, J., Mao, Z. Q. & Ke, X., Jan 11 2023, In: Journal of Physics: Condensed Matter. 35, 1, 015402.Research output: Contribution to journal › Article › peer-review
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Simple Synthesis of Monodisperse Ultrasmall Au Icosahedral Nanoparticles
Yildirim, E., Ramamoorthy, R. K., Parmar, R., Roblin, P., Vargas, J. A., Petkov, V., Diaz, A., Checchia, S., Ruiz, I. R., Teychené, S., Lacroix, L. M. & Viau, G., Feb 16 2023, In: Journal of Physical Chemistry C. 127, 6, p. 3047-3058 12 p.Research output: Contribution to journal › Article › peer-review
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Accelerating battery electrode materials discovery using machine learning
Moses, I. A. & Barone, V., Mar 2022.Research output: Contribution to conference › Poster
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Accelerating the discovery of battery electrode materials through data mining and deep learning models
Moses, I. A., Barone, V. & Peralta, J. E., Oct 30 2022, In: Journal of Power Sources. 546, 231977.Research output: Contribution to journal › Article › peer-review
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A detailed study of the Green’s function approach for the calculation of isotropic exchange couplings
Aebersold, L. & Peralta, J. E., 2022.Research output: Contribution to conference › Poster
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A new vanadium species in black shales: Updated burial pathways and implications
Bian, L., Chappaz, A., Schovsbo, N. H. & Sanei, H., Dec 1 2022, In: Geochimica et Cosmochimica Acta. 338, p. 1-10 10 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Approaches for the Computation of Magnetic Exchange Couplings
Aebersold, L. & Peralta, J. E., 2022.Research output: Contribution to conference › Poster
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Approaches to Calculate Magnetic Exchange Couplings in High Nuclearity Complexes
Aebersold, L. & Peralta, J. E., 2022.Research output: Contribution to conference › Poster
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A quantum mechanical approach to validate, analyze, and predict magnetic properties
Peralta, J. E., 2022.Research output: Contribution to conference › Poster
Honors & Awards
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CMU College of Science and Technology Outstanding Teaching Award
Jackson, Koblar (Recipient), Jan 1 2002
Prize: Honorary award
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IBM-L¨owdin fellowship award for postdoctoral associates
Peralta, Juan (Recipient), Jan 1 2005
Prize: Honorary award
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Outsatnding Research and Creative Activity
Petkov, Valeri (Recipient), Mar 1 2008
Prize: Honorary award
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Outstanding Achievement and Promotion of the Chemical Sciences
Fahlman, Bradley (Recipient), Sep 1 2020
Prize: Honorary award
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President Award for Outstanding Research and Creative Activities
Fornari, Marco (Recipient), Apr 1 2015
Prize: Honorary award
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The European Physical Journal B (External organization)
Veronica Barone (Other)
Jul 1 2021Activity: Membership › Membership of committee
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ACS (External organization)
Veronica Barone (Other)
Jun 1 2021 → Jun 30 2022Activity: Membership › Membership of committee
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ACS (External organization)
Bradley D Fahlman (Other)
Apr 6 2021 → Apr 13 2021Activity: Membership › Membership of committee
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Magnetochemistry (External organization)
Juan Ernesto Peralta (Other)
Jan 1 2019 → Dec 31 2100Activity: Membership › Membership of committee
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Science of Advanced Materials (Organizational unit)
Valeri Gueorguiev Petkov (Chair)
Jan 1 2018 → Dec 31 2020Activity: Membership › Membership of committee
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FIRST Competition Robotics (External organization)
Marco Fornari (Other)
Jan 1 2017Activity: Membership › Membership of committee
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Springer Nature (External organization)
Marco Fornari (Other)
Jan 1 2015Activity: Membership › Membership of committee
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Science of Advanced Materials (Organizational unit)
Bradley D Fahlman (Member)
Sep 1 2014Activity: Membership › Membership of committee
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American Chemical Society (External organization)
Bradley D Fahlman (Other)
May 15 2013 → May 17 2013Activity: Membership › Membership of committee
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McGraw-Hill (External organization)
Bradley D Fahlman (Other)
Sep 1 2013Activity: Membership › Membership of committee
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Science of Advanced Materials (Organizational unit)
Marco Fornari (Chair)
Jan 1 2012 → Dec 31 2013Activity: Membership › Membership of committee
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Science of Advanced Materials (Organizational unit)
Marco Fornari (Chair)
Jan 1 2012 → Dec 31 2013Activity: Membership › Membership of committee