ELECTRON-PHONON

作品数：29被引量：13H指数：2
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相关作者：孙玉平更多>>
相关机构：中国科学院更多>>
相关期刊：《npj Computational Materials》《Journal of Modern Physics》《American Journal of Analytical Chemistry》《Science China Mathematics》更多>>
相关基金：国家自然科学基金更多>>
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Dynamic mode decomposition of nonequilibrium electron-phonon dynamics:accelerating the firstprinciples real-time Boltzmann equation
《npj Computational Materials》2024年第1期1970-1977,共8页Ivan Maliyov Jia Yin Jia Yao Chao Yang Marco Bernardi 
supported by the U.S.Department of Energy,Office of Science,Office of Advanced Scientific Computing Research,and Office of Basic Energy Sciences,Scientific Discovery through Advanced Computing(SciDAC)program under Award No.DESC0022088;supported by the U.S.Department of Energy,Office of Science,Office of Basic Energy Sciences,and Fuels from Sunlight Hub under Award DE-SC0021266.
Nonequilibrium dynamics governed by electron–phonon(e-ph)interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials.The real-time Boltzm...
关键词：materials DYNAMICS PHONON 
The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations被引量：1
《npj Computational Materials》2022年第1期236-244,共9页Nakib H.Protik Chunhua Li Miguel Pruneda David Broido Pablo Ordejón 
This project was funded by the EU-H2020 through H2020-NMBP-TO-IND project GA n.814487 (INTERSECT);ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No.SEV-2017-0706) and the CERCA Program of Generalitat de Catalunya;Work at Boston College (contributions to code testing and ab initio thermoelectric transport calculations for silicon) was supported by the US Department of Energy (DOE),Office of Science,Basic Energy Sciences under award # DE-SC0021071;NHP acknowledges helpful discussions with Vladimir Dikan,José María Escartín,Xavier Cartoixà,and Riccardo Rurali.We thankfully acknowledge the computer resources at MareNostrum and La Palma and the technical support provided by Barcelona Supercomputing Center (FI-2021-1-0016);the Center for Astrophysics in La Palma (QS-2021-1-0022),respectively;We also acknowledge computational support from the Boston College Linux clusters and those at ICN2 provided by Grant PGC2018-096955-B-C43 funded by MCIN/AEI/10.13039/501100011033 and “ERDF A way of making Europe”.
elphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled electron–phonon Boltzmann transport equations from first principles.Using results from density functional and density functional p...
关键词：properties PHONON EQUATIONS 
Author Correction:The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations被引量：1
《npj Computational Materials》2022年第1期508-508,共1页Nakib H.Protik Chunhua Li Miguel Pruneda David Broido Pablo Ordejón 
The original version of this article contained typographical errors in Equation(6)and Equation(7).
关键词：Equation PHONON GRAPHICAL 
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