Theoretical and Computational Methods in Mineral Physics : : Geophysical Applications / / ed. by Renata M. Wentzcovitch, Lars Stixrude.
Volume 71 of Reviews in Mineralogy and Geochemistry represents an extensive review of the material presented by the invited speakers at a short course on Theoretical and Computational Methods in Mineral Physics held prior (December 10-12, 2009) to the Annual fall meeting of the American Geophysical...
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Superior document: | Title is part of eBook package: De Gruyter DGBA Physical Sciences 2000 - 2014 |
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Place / Publishing House: | Berlin ;, Boston : : De Gruyter, , [2018] ©2010 |
Year of Publication: | 2018 |
Language: | English |
Series: | Reviews in Mineralogy & Geochemistry ,
71 |
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Physical Description: | 1 online resource (XVIII, 484 p.) |
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Theoretical and Computational Methods in Mineral Physics : Geophysical Applications / ed. by Renata M. Wentzcovitch, Lars Stixrude. Berlin ; Boston : De Gruyter, [2018] ©2010 1 online resource (XVIII, 484 p.) text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda Reviews in Mineralogy & Geochemistry , 1529-6466 ; 71 Frontmatter -- SHORT COURSE SERIES DEDICATION -- PREFACE -- TABLE OF CONTENTS -- 1. Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists -- 2. The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry -- 3. Density-Functional Perturbation Theory for Quasi-Harmonic Calculations -- 4. Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory -- 5. First Principles Quasiharmonic Thermoelasticity of Mantle Minerals -- 6. An Overview of Quantum Monte Carlo Methods -- 7. Quantum Monte Carlo Studies of Transition Metal Oxides -- 8. Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives -- 9. Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations -- 10. Simulating Diffusion -- 11. Modeling Dislocations and Plasticity of Deep Earth Materials -- 12. Theoretical Methods for Calculating the Lattice Thermal Conductivity of Minerals -- 13. Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials -- 14. Multi-Mbar Phase Transitions in Minerals -- 15. Computer Simulations on Phase Transitions in Ice -- 16. Iron at Earth's Core Conditions from First Principles Calculations -- 17. First-Principles Molecular Dynamics Simulations of Silicate Melts: Structural and Dynamical Properties -- 18. Lattice Dynamics from Force-Fields as a Technique for Mineral Physics -- 19. An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System -- 20. Large Scale Simulations -- 21. Thermodynamics of the Earth's Mantle restricted access http://purl.org/coar/access_right/c_16ec online access with authorization star Volume 71 of Reviews in Mineralogy and Geochemistry represents an extensive review of the material presented by the invited speakers at a short course on Theoretical and Computational Methods in Mineral Physics held prior (December 10-12, 2009) to the Annual fall meeting of the American Geophysical Union in San Francisco, California. The meeting was held at the Doubletree Hotel & Executive Meeting Center in Berkeley, California. Contents:Density functional theory of electronic structure: a short course for mineralogists and geophysicistsThe Minnesota density functionals and their applications to problems in mineralogy and geochemistryDensity-functional perturbation theory for quasi-harmonic calculationsThermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theoryFirst principles quasiharmonic thermoelasticity of mantle mineralsAn overview of quantum Monte Carlo methodsQuantum Monte Carlo studies of transition metal oxidesAccurate and efficient calculations on strongly correlated minerals with the LDA+U method: review and perspectivesSpin-state crossover of iron in lower-mantle minerals: results of DFT+U investigationsSimulating diffusionModeling dislocations and plasticity of deep earth materialsTheoretical methods for calculating the lattice thermal conductivity of mineralsEvolutionary crystal structure prediction as a method for the discovery of minerals and materialsMulti-Mbar phase transitions in mineralsComputer simulations on phase transitions in iceIron at Earth’s core conditions from first principles calculationsFirst-principles molecular dynamics simulations of silicate melts: structural and dynamical propertiesLattice dynamics from force-fields as a technique for mineral physicsAn efficient cluster expansion method for binary solid solutions: application to the halite-silvite, NaCl-KCl, systemLarge scale simulationsThermodynamics of the Earth’s mantle Issued also in print. Mode of access: Internet via World Wide Web. In English. Description based on online resource; title from PDF title page (publisher's Web site, viewed 28. Feb 2023) Aufsatzsammlung. Computerunterstütztes Verfahren. Geophysik. Mineralchemie. SCIENCE / Earth Sciences / Mineralogy. bisacsh Alfè, Dario, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ammann, Michael W., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Baroni, Stefano, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Brodholt, John P., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Carrez, Philippe, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Carrier, Pierre, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ceperley, David M., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Cococcioni, Matteo, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Cordier, Patrick, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Dobson, David P., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Gale, Julian D., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Gatti, Carlo, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ghiorso, Mark S., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Giannozzi, Paolo, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Hsu, Han, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Isaev, Eyvaz, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Karki, Bijaya B., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Kolorenč, Jindřich, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Lithgow-Bertelloni, Carolina, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Lyakhov, Andriy O., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ma, Yanming, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Mitas, Lubos, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Oganov, Artem R., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Perdew, John P., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ruzsinszky, Adrienn, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Spera, Frank J., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Stackhouse, Stephen, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Stixrude, Lars, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Stixrude, Lars, editor. edt http://id.loc.gov/vocabulary/relators/edt Truhlar, Donald G., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Umemoto, Koichiro, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Valle, Mario, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Vinograd, Victor, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Wentzcovitch, Renata M., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Wentzcovitch, Renata M., editor. edt http://id.loc.gov/vocabulary/relators/edt Winkler, Björn, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Wright, Kate, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Wu, Zhongqing, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Yu, Yonggang G., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Zhao, Yan, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Title is part of eBook package: De Gruyter DGBA Physical Sciences 2000 - 2014 9783110637212 ZDB-23-GPS print 9780939950850 https://doi.org/10.1515/9781501508448 https://www.degruyter.com/isbn/9781501508448 Cover https://www.degruyter.com/document/cover/isbn/9781501508448/original |
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author_sort |
Alfè, Dario, |
title |
Theoretical and Computational Methods in Mineral Physics : Geophysical Applications / |
spellingShingle |
Theoretical and Computational Methods in Mineral Physics : Geophysical Applications / Reviews in Mineralogy & Geochemistry , Frontmatter -- SHORT COURSE SERIES DEDICATION -- PREFACE -- TABLE OF CONTENTS -- 1. Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists -- 2. The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry -- 3. Density-Functional Perturbation Theory for Quasi-Harmonic Calculations -- 4. Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory -- 5. First Principles Quasiharmonic Thermoelasticity of Mantle Minerals -- 6. An Overview of Quantum Monte Carlo Methods -- 7. Quantum Monte Carlo Studies of Transition Metal Oxides -- 8. Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives -- 9. Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations -- 10. Simulating Diffusion -- 11. Modeling Dislocations and Plasticity of Deep Earth Materials -- 12. Theoretical Methods for Calculating the Lattice Thermal Conductivity of Minerals -- 13. Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials -- 14. Multi-Mbar Phase Transitions in Minerals -- 15. Computer Simulations on Phase Transitions in Ice -- 16. Iron at Earth's Core Conditions from First Principles Calculations -- 17. First-Principles Molecular Dynamics Simulations of Silicate Melts: Structural and Dynamical Properties -- 18. Lattice Dynamics from Force-Fields as a Technique for Mineral Physics -- 19. An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System -- 20. Large Scale Simulations -- 21. Thermodynamics of the Earth's Mantle |
title_sub |
Geophysical Applications / |
title_full |
Theoretical and Computational Methods in Mineral Physics : Geophysical Applications / ed. by Renata M. Wentzcovitch, Lars Stixrude. |
title_fullStr |
Theoretical and Computational Methods in Mineral Physics : Geophysical Applications / ed. by Renata M. Wentzcovitch, Lars Stixrude. |
title_full_unstemmed |
Theoretical and Computational Methods in Mineral Physics : Geophysical Applications / ed. by Renata M. Wentzcovitch, Lars Stixrude. |
title_auth |
Theoretical and Computational Methods in Mineral Physics : Geophysical Applications / |
title_alt |
Frontmatter -- SHORT COURSE SERIES DEDICATION -- PREFACE -- TABLE OF CONTENTS -- 1. Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists -- 2. The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry -- 3. Density-Functional Perturbation Theory for Quasi-Harmonic Calculations -- 4. Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory -- 5. First Principles Quasiharmonic Thermoelasticity of Mantle Minerals -- 6. An Overview of Quantum Monte Carlo Methods -- 7. Quantum Monte Carlo Studies of Transition Metal Oxides -- 8. Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives -- 9. Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations -- 10. Simulating Diffusion -- 11. Modeling Dislocations and Plasticity of Deep Earth Materials -- 12. Theoretical Methods for Calculating the Lattice Thermal Conductivity of Minerals -- 13. Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials -- 14. Multi-Mbar Phase Transitions in Minerals -- 15. Computer Simulations on Phase Transitions in Ice -- 16. Iron at Earth's Core Conditions from First Principles Calculations -- 17. First-Principles Molecular Dynamics Simulations of Silicate Melts: Structural and Dynamical Properties -- 18. Lattice Dynamics from Force-Fields as a Technique for Mineral Physics -- 19. An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System -- 20. Large Scale Simulations -- 21. Thermodynamics of the Earth's Mantle |
title_new |
Theoretical and Computational Methods in Mineral Physics : |
title_sort |
theoretical and computational methods in mineral physics : geophysical applications / |
series |
Reviews in Mineralogy & Geochemistry , |
series2 |
Reviews in Mineralogy & Geochemistry , |
publisher |
De Gruyter, |
publishDate |
2018 |
physical |
1 online resource (XVIII, 484 p.) Issued also in print. |
contents |
Frontmatter -- SHORT COURSE SERIES DEDICATION -- PREFACE -- TABLE OF CONTENTS -- 1. Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists -- 2. The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry -- 3. Density-Functional Perturbation Theory for Quasi-Harmonic Calculations -- 4. Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory -- 5. First Principles Quasiharmonic Thermoelasticity of Mantle Minerals -- 6. An Overview of Quantum Monte Carlo Methods -- 7. Quantum Monte Carlo Studies of Transition Metal Oxides -- 8. Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives -- 9. Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations -- 10. Simulating Diffusion -- 11. Modeling Dislocations and Plasticity of Deep Earth Materials -- 12. Theoretical Methods for Calculating the Lattice Thermal Conductivity of Minerals -- 13. Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials -- 14. Multi-Mbar Phase Transitions in Minerals -- 15. Computer Simulations on Phase Transitions in Ice -- 16. Iron at Earth's Core Conditions from First Principles Calculations -- 17. First-Principles Molecular Dynamics Simulations of Silicate Melts: Structural and Dynamical Properties -- 18. Lattice Dynamics from Force-Fields as a Technique for Mineral Physics -- 19. An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System -- 20. Large Scale Simulations -- 21. Thermodynamics of the Earth's Mantle |
isbn |
9781501508448 9783110637212 9780939950850 |
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1529-6466 ; |
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https://doi.org/10.1515/9781501508448 https://www.degruyter.com/isbn/9781501508448 https://www.degruyter.com/document/cover/isbn/9781501508448/original |
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<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>10101nam a22011895i 4500</leader><controlfield tag="001">9781501508448</controlfield><controlfield tag="003">DE-B1597</controlfield><controlfield tag="005">20230228123812.0</controlfield><controlfield tag="006">m|||||o||d||||||||</controlfield><controlfield tag="007">cr || ||||||||</controlfield><controlfield tag="008">230228t20182010gw fo d z eng d</controlfield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9781501508448</subfield></datafield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1515/9781501508448</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-B1597)493078</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)1076803112</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-B1597</subfield><subfield code="b">eng</subfield><subfield code="c">DE-B1597</subfield><subfield code="e">rda</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="044" ind1=" " ind2=" "><subfield code="a">gw</subfield><subfield code="c">DE</subfield></datafield><datafield tag="072" ind1=" " ind2="7"><subfield code="a">SCI048000</subfield><subfield code="2">bisacsh</subfield></datafield><datafield tag="245" ind1="0" ind2="0"><subfield code="a">Theoretical and Computational Methods in Mineral Physics :</subfield><subfield code="b">Geophysical Applications /</subfield><subfield code="c">ed. by Renata M. Wentzcovitch, Lars Stixrude.</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Berlin ;</subfield><subfield code="a">Boston : </subfield><subfield code="b">De Gruyter, </subfield><subfield code="c">[2018]</subfield></datafield><datafield tag="264" ind1=" " ind2="4"><subfield code="c">©2010</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">1 online resource (XVIII, 484 p.)</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">computer</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">online resource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="347" ind1=" " ind2=" "><subfield code="a">text file</subfield><subfield code="b">PDF</subfield><subfield code="2">rda</subfield></datafield><datafield tag="490" ind1="0" ind2=" "><subfield code="a">Reviews in Mineralogy & Geochemistry ,</subfield><subfield code="x">1529-6466 ;</subfield><subfield code="v">71</subfield></datafield><datafield tag="505" ind1="0" ind2="0"><subfield code="t">Frontmatter -- </subfield><subfield code="t">SHORT COURSE SERIES DEDICATION -- </subfield><subfield code="t">PREFACE -- </subfield><subfield code="t">TABLE OF CONTENTS -- </subfield><subfield code="t">1. Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists -- </subfield><subfield code="t">2. The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry -- </subfield><subfield code="t">3. Density-Functional Perturbation Theory for Quasi-Harmonic Calculations -- </subfield><subfield code="t">4. Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory -- </subfield><subfield code="t">5. First Principles Quasiharmonic Thermoelasticity of Mantle Minerals -- </subfield><subfield code="t">6. An Overview of Quantum Monte Carlo Methods -- </subfield><subfield code="t">7. Quantum Monte Carlo Studies of Transition Metal Oxides -- </subfield><subfield code="t">8. Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives -- </subfield><subfield code="t">9. Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations -- </subfield><subfield code="t">10. Simulating Diffusion -- </subfield><subfield code="t">11. Modeling Dislocations and Plasticity of Deep Earth Materials -- </subfield><subfield code="t">12. Theoretical Methods for Calculating the Lattice Thermal Conductivity of Minerals -- </subfield><subfield code="t">13. Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials -- </subfield><subfield code="t">14. Multi-Mbar Phase Transitions in Minerals -- </subfield><subfield code="t">15. Computer Simulations on Phase Transitions in Ice -- </subfield><subfield code="t">16. Iron at Earth's Core Conditions from First Principles Calculations -- </subfield><subfield code="t">17. First-Principles Molecular Dynamics Simulations of Silicate Melts: Structural and Dynamical Properties -- </subfield><subfield code="t">18. Lattice Dynamics from Force-Fields as a Technique for Mineral Physics -- </subfield><subfield code="t">19. An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System -- </subfield><subfield code="t">20. Large Scale Simulations -- </subfield><subfield code="t">21. Thermodynamics of the Earth's Mantle</subfield></datafield><datafield tag="506" ind1="0" ind2=" "><subfield code="a">restricted access</subfield><subfield code="u">http://purl.org/coar/access_right/c_16ec</subfield><subfield code="f">online access with authorization</subfield><subfield code="2">star</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Volume 71 of Reviews in Mineralogy and Geochemistry represents an extensive review of the material presented by the invited speakers at a short course on Theoretical and Computational Methods in Mineral Physics held prior (December 10-12, 2009) to the Annual fall meeting of the American Geophysical Union in San Francisco, California. The meeting was held at the Doubletree Hotel & Executive Meeting Center in Berkeley, California. Contents:Density functional theory of electronic structure: a short course for mineralogists and geophysicistsThe Minnesota density functionals and their applications to problems in mineralogy and geochemistryDensity-functional perturbation theory for quasi-harmonic calculationsThermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theoryFirst principles quasiharmonic thermoelasticity of mantle mineralsAn overview of quantum Monte Carlo methodsQuantum Monte Carlo studies of transition metal oxidesAccurate and efficient calculations on strongly correlated minerals with the LDA+U method: review and perspectivesSpin-state crossover of iron in lower-mantle minerals: results of DFT+U investigationsSimulating diffusionModeling dislocations and plasticity of deep earth materialsTheoretical methods for calculating the lattice thermal conductivity of mineralsEvolutionary crystal structure prediction as a method for the discovery of minerals and materialsMulti-Mbar phase transitions in mineralsComputer simulations on phase transitions in iceIron at Earth’s core conditions from first principles calculationsFirst-principles molecular dynamics simulations of silicate melts: structural and dynamical propertiesLattice dynamics from force-fields as a technique for mineral physicsAn efficient cluster expansion method for binary solid solutions: application to the halite-silvite, NaCl-KCl, systemLarge scale simulationsThermodynamics of the Earth’s mantle</subfield></datafield><datafield tag="530" ind1=" " ind2=" "><subfield code="a">Issued also in print.</subfield></datafield><datafield tag="538" ind1=" " ind2=" "><subfield code="a">Mode of access: Internet via World Wide Web.</subfield></datafield><datafield tag="546" ind1=" " ind2=" "><subfield code="a">In English.</subfield></datafield><datafield tag="588" ind1="0" ind2=" "><subfield code="a">Description based on online resource; title from PDF title page (publisher's Web site, viewed 28. 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