Quantitative Limits of DFT Phase Transitions: Importance of Anharmonicity, 
Point Defects and Exchange-Correlation Functionals

Grabowski, B.

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Quantitative Limits of DFT Phase Transitions: Importance of Anharmonicity, Point Defects and Exchange-Correlation Functionals

Grabowski, B. (2012). Quantitative Limits of DFT Phase Transitions: Importance of Anharmonicity, Point Defects and Exchange-Correlation Functionals. Talk presented at Workshop on "Simulation of Complex Microstructure Pathways for Alloy Design." McMaster University, Hamilton, Canada. 2012-11-29 - 2012-11-30.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-2647-5 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0028-3E6C-B

Genre: Talk

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Creators:
Grabowski, B.¹, Author

Affiliations:
1Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341

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Language(s): eng - English

Dates: Created: 2012-11

Publication Status: Not specified

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Identifiers: eDoc: 671107

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Title: Workshop on "Simulation of Complex Microstructure Pathways for Alloy Design."

Place of Event: McMaster University, Hamilton, Canada

Start-/End Date: 2012-11-29 - 2012-11-30

Invited: Yes

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