Zachary Trautt

National Institute of Standards and Technology — United States

Materials Science · Physical Sciences

15h-index1.7kcitations33works0.02yr avg
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Research Topics

Microstructure and mechanical properties(13), Machine Learning in Materials Science(12), Advanced Materials Characterization Techniques(6), Research Data Management Practices(4), Microstructure and Mechanical Properties of Steels(3)

Publications33 total

FDOs and Materials Science and Engineering
Open Conference Proceedings·2025Open Access
A roadmap for LIMS at NIST Material Measurement Laboratory
2022· 2 citedOpen Access
Towards improved FAIRness of the ThermoML Archive
Journal of Computational Chemistry·2022· 15 cited
FAIR Digital Object Demonstrators 2021
ORCA Online Research @Cardiff (Cardiff University)·2022· 3 citedOpen Access
Materials data :
2021· 1 citedOpen Access
Scientific AI in materials science: a path to a sustainable and scalable paradigm
Machine Learning Science and Technology·2020· 18 citedOpen Access
Scientific AI in materials science: a path to a sustainable and scalable\n paradigm
arXiv (Cornell University)·2020Open Access
(Invited) Motivating the Collaboratory for High-Throughput Experimental Materials Science and Beyond...
ECS Meeting Abstracts·2019
An Inter-Laboratory Comparative High Throughput Experimental Materials Study of Zn-Sn-Ti-O Thin Films
ACS Combinatorial Science·2019
An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods
ACS Combinatorial Science·2019· 15 citedOpen Access
Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms
Scientific Data·2018· 127 citedOpen Access
Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants
Modelling and Simulation in Materials Science and Engineering·2018· 101 cited
Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies
Applied Physics Reviews·2017· 302 citedOpen Access
Informatics Infrastructure for the Materials Genome Initiative
JOM·2016· 83 citedOpen Access
Facilitating the selection and creation of accurate interatomic potentials with robust tools and characterization
Modelling and Simulation in Materials Science and Engineering·2015· 15 cited
Application of data science tools to quantify and distinguish between structures and models in molecular dynamics datasets
Nanotechnology·2015· 42 cited
Improving reproducibility and automation in atomistic simulations
Purdue e-Pubs (Purdue University System)·2014Open Access
Capillary-driven grain boundary motion and grain rotation in a tricrystal: A molecular dynamics study
Acta Materialia·2013· 43 cited
Considerations for choosing and using force fields and interatomic potentials in materials science and engineering
Current Opinion in Solid State and Materials Science·2013· 249 cited
Coupled motion of asymmetrical tilt grain boundaries: Molecular dynamics and phase field crystal simulations
Acta Materialia·2012· 136 citedOpen Access
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Frequent Co-authors

Moneesh Upmanyu(10), Chandler A. Becker(7), Jason Hattrick‐Simpers(5), A. Gilad Kusne(5), Y. Mishin(5), Alain Karma(5), Rasmus B. Godiksen(4), Dorte Juul Jensen(4), S. Schmidt(4), Ichiro Takeuchi(3), Sara C. Barron(3), Apurva Mehta(3), Andriy Zakutayev(3), Francesca Tavazza(3), Kamal Choudhary(3), Marcus Newrock(3), R. J. Hanisch(3), Brian DeCost(3), John D. Perkins(3), Martin L. Green(3)