The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design
Kamal Choudhary (ORCID 0000-0001-9737-8074), Kevin F. Garrity, Andrew C. E. Reid (ORCID 0000-0002-1564-5640), Brian DeCost, Adam J. Biacchi (ORCID 0000-0001-5663-2048), Angela R. Hight Walker (ORCID 0000-0003-1385-0672), Zachary Trautt, Jason Hattrick-Simpers, A. Gilad Kusne (ORCID 0000-0001-8904-2087), Andrea Centrone (ORCID 0000-0002-2919-3366), Albert Davydov, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan Reed, Ankit Agrawal, Xiaofeng Qian, Vinit Sharma (ORCID 0000-0002-0577-5716), Houlong Zhuang, Sergei V. Kalinin (ORCID 0000-0001-5354-6152), Bobby G. Sumpter (ORCID 0000-0001-6341-0355), Ghanshyam Pilania (ORCID 0000-0003-4460-1572), Pinar Acar (ORCID 0000-0002-5911-0410), Subhasish Mandal (ORCID 0000-0001-9662-4165), Kristjan Haule, David Vanderbilt (ORCID 0000-0002-2465-9091), Karin Rabe, Francesca Tavazza (ORCID 0000-0002-5602-180X)
npj Computational Materials 6 (1) 173 (2020) · Springer Science and Business Media LLC
DOI: 10.1038/s41524-020-00440-1
Data: JSON record · id doi:10.1038/s41524-020-00440-1 · metadata: crossref
Roles in ORCHID
- cited as the original source of values
Systems
Evidence in ORCHID
2 values in 1 other papers cite this work as their source.
| dft | 2 |
Availability
Read by ORCHID: no. Open-access licence (Crossref license field): https://creativecommons.org/licenses/by/4.0 (vor). Crossref is-referenced-by count: 569 (retrieved 2026-10-23).
Relations
Cited by (Crossref reference lists) (8)
- Thermodynamic Assessments of the Ce–Te and Ce–Te–Bi Systems (2025) [crossref_reference_list]
- Excess Thermodynamic Properties of Solutions in Ln-Ru (Ln = Nd, Gd, Dy) Binary Systems Based on Quadratic, Exponential and Combined Models Supported by Ab-Initio Calculations (2023) [crossref_reference_list]
- Thermodynamic Modeling of the (Ce and Sm)-Ru Binary Systems Based on Linear, Exponential, and Combined Models Aided by Ab-Initio Calculations (2023) [crossref_reference_list]
- Thermodynamic properties of the Nd-Bi system via emf measurements, DFT calculations, machine learning, and CALPHAD modeling (2022) [crossref_reference_list]
- Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements (2024) [crossref_reference_list]
- Thermodynamic assessment of the Ga–La and Ga–Pr systems supported by ab-initio calculations (2022) [crossref_reference_list]
- Thermodynamic modeling of the Nb-Ni system with uncertainty quantification using PyCalphad and ESPEI (2023) [crossref_reference_list]
- Thermodynamic assessment of the Ce-Rh system by the combination of ab-initio calculations and the CALPHAD approach (2024) [crossref_reference_list]
References (Crossref, publisher-deposited) (5)
- AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) [crossref_reference_list]
- The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [crossref_reference_list]
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) [crossref_reference_list]
- Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
- Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
Cited for values by (1)
- Thermodynamic Modeling of the (Ce and Sm)-Ru Binary Systems Based on Linear, Exponential, and Combined Models Aided by Ab-Initio Calculations (2023) — 2 values [orchid_extraction]
Used in (assessments / papers that took values from it) (1)
- Thermodynamic Modeling of the (Ce and Sm)-Ru Binary Systems Based on Linear, Exponential, and Combined Models Aided by Ab-Initio Calculations (2023) — 2 values [orchid_extraction]