Theoretical and computational methods in mineral physics : : geophysical applications / / editors, Renata Wentzcovitch, Lars Stixrude.
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| Superior document: | Reviews in Mineralogy and Geochemistry ; Volume 71 |
|---|---|
| TeilnehmendeR: | |
| Place / Publishing House: | Chantilly, Virginia : : The Mineralogical Society of America,, [2010] 2010 |
| Year of Publication: | 2010 |
| Language: | English |
| Series: | Reviews in mineralogy and geochemistry ;
Volume 71. |
| Online Access: | |
| Physical Description: | 1 online resource (xvii, 484 pages) :; illustrations. |
| Notes: | "Geochemical Society". |
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Table of Contents:
- Density functional theory of electronic structure : a short course for mineralogists and geophysicists / John P. Perdew and Adrienn Ruzsinszky
- The Minnesota density functionals and their applications to problems in mineralogy and geochemistry / Yan Zhao, Donald G. Truhlar
- Density-functional perturbation theory for quasi-harmonic calculations / Stefano Baroni, Paolo Giannozzi, Eyvaz Isaev
- Thermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theory / Renata M. Wentzcovitch, Yonggang G. Yu, Zhongqing Wu
- First principles quasiharmonic thermoelasticity of mantle minerals / Renata M. Wentzcovitch, Zhongqing Wu, Pierre Carrier
- An overview of quantum Monte Carlo methods / David M. Ceperley
- Quantum Monte Carlo studies of transition metal oxides / Lubos Mitas, Jindrich Kolerenc
- Accurate and efficient calculations on strongly correlated minerals with the LDA+U method : review and perspectives / Matteo Cococcioni
- Spin-state crossover of iron in lower-mantle minerals : results of DFT+U investigations / Han Hsu ... [et al.]
- Simulating diffusion / Michael W. Ammann, John P. Brodholt, David P. Dobson
- Modeling dislocations and plasticity of deep Earth materials / Philippe Carrez, Patrick Cordier
- Theoretical methods for calculating the lattice thermal conductivity of minerals / Stephen Stackhouse, Lars Stixrude
- Evolutionary crystal structure prediction as a method for the discovery of minerals and materials / Artem R. Oganov ... [et al.]
- Multi-Mbar phase transitions in minerals / Koichiro Umemoto, Renata M. Wentzcovitch
- Computer simulations on phase transitions in ice / Koichiro Umemoto
- Iron at Earth's core conditions from first principles calculations / Dario Alfe
- First-principles molecular dynamics simulations of silicate melts : structural and dynamical properties / Bijaya B. Karki
- Lattice dynamics from force-fields as a technique for mineral physics / Julian D. Gale, Kate Wright
- An efficient cluster expansion method for binary solid solutions : application to the halite-silvite, NaCl-KCl, system / Victor Vinograd, Bjorn Winkler
- Large scale simulations / Mark S. Ghiorso, Frank J. Spera
- Thermodynamics of the Earth's mantle / Lars Stixrude, Carolina Lithgow-Bertelloni.