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Volume 71, Number 1
2010
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ISSN: 1529-6466
In this Issue

Theoretical and Computational Methods in Mineral Physics: Geophysical Applications

Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists
John P. Perdew; Adrienn Ruzsinszky
View articletitled, Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists
Supplementary data
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The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry
Yan Zhao; Donald G. Truhlar
View articletitled, The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry
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Density-Functional Perturbation Theory for Quasi-Harmonic Calculations
Stefano Baroni; Paolo Giannozzi; Eyvaz Isaev
View articletitled, Density-Functional Perturbation Theory for Quasi-Harmonic Calculations
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Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory
Renata M. Wentzcovitch; Yonggang G. Yu; Zhongqing Wu
View articletitled, Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory
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First Principles Quasiharmonic Thermoelasticity of Mantle Minerals
Renata M. Wentzcovitch; Zhongqing Wu; Pierre Carrier
View articletitled, First Principles Quasiharmonic Thermoelasticity of Mantle Minerals
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An Overview of Quantum Monte Carlo Methods
David M. Ceperley
View articletitled, An Overview of Quantum Monte Carlo Methods
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Quantum Monte Carlo Studies of Transition Metal Oxides
Lubos Mitas; Jindřich Kolorenč
View articletitled, Quantum Monte Carlo Studies of Transition Metal Oxides
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Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives
Matteo Cococcioni
View articletitled, Accurate and Efficient Calculations on Strongly Correlated Minerals with the LDA+U Method: Review and Perspectives
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Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations
Han Hsu; Koichiro Umemoto; Zhongqing Wu; Renata M. Wentzcovitch
View articletitled, Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+<em>U</em> Investigations
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Simulating Diffusion
Michael W. Ammann; John P. Brodholt; David P. Dobson
View articletitled, Simulating Diffusion
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Modeling Dislocations and Plasticity of Deep Earth Materials
Philippe Carrez; Patrick Cordier
View articletitled, Modeling Dislocations and Plasticity of Deep Earth Materials
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Theoretical Methods for Calculating the Lattice Thermal Conductivity of Minerals
Stephen Stackhouse; Lars Stixrude
View articletitled, Theoretical Methods for Calculating the Lattice Thermal Conductivity of Minerals
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Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials
Artem R. Oganov; Yanming Ma; Andriy O. Lyakhov; Mario Valle; Carlo Gatti
View articletitled, Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials
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Multi-Mbar Phase Transitions in Minerals
Koichiro Umemoto; Renata M. Wentzcovitch
View articletitled, Multi-Mbar Phase Transitions in Minerals
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Computer Simulations on Phase Transitions in Ice
Koichiro Umemoto
View articletitled, Computer Simulations on Phase Transitions in Ice
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Iron at Earth’s Core Conditions from First Principles Calculations
Dario Alfè
View articletitled, Iron at Earth’s Core Conditions from First Principles Calculations
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First-Principles Molecular Dynamics Simulations of Silicate Melts: Structural and Dynamical Properties
Bijaya B. Karki
View articletitled, First-Principles Molecular Dynamics Simulations of Silicate Melts: Structural and Dynamical Properties
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Lattice Dynamics from Force-Fields as a Technique for Mineral Physics
Julian D. Gale; Kate Wright
View articletitled, Lattice Dynamics from Force-Fields as a Technique for Mineral Physics
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An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System
Victor Vinograd; Björn Winkler
View articletitled, An Efficient Cluster Expansion Method for Binary Solid Solutions: Application to the Halite-Silvite, NaCl-KCl, System
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Large Scale Simulations
Mark S. Ghiorso; Frank J. Spera
View articletitled, Large Scale Simulations
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Thermodynamics of the Earth’s Mantle
Lars Stixrude; Carolina Lithgow-Bertelloni
View articletitled, Thermodynamics of the Earth’s Mantle
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Dedication

SHORT COURSE SERIES DEDICATION
View articletitled, SHORT COURSE SERIES DEDICATION
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From the Series Editor

FROM THE SERIES EDITOR
Jodi J. Rosso
View articletitled, FROM THE SERIES EDITOR
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Preface

PREFACE
Renata Wentzcovitch; Lars Stixrude
View articletitled, PREFACE
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  • ISSN 1529-6466
  • Copyright © 2025 Mineralogical Society of America
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