Chris A. Marianetti

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All published works

Action	Title	Year	Authors
+ PDF Chat	Magnetism and metallicity in moiré transition metal dichalcogenides	2024	Patrick Tscheppe Jiawei Zang Marcel Klett Seher Karakuzu Armelle Celarier Zhengqian Cheng Chris A. Marianetti Thomas Maier Michel Ferrero Andrew J. Millis
+ PDF Chat	Precisely computing phonons via irreducible derivatives	2023	Sasaank Bandi Chris A. Marianetti
+	Anharmonic phonon behavior via irreducible derivatives: Self-consistent perturbation theory and molecular dynamics	2023	Enda Xiao Chris A. Marianetti
+	A gauge constrained algorithm of VDAT at $\mathcal{N}=3$ for the multi-orbital Hubbard model	2023	Zhengqian Cheng Chris A. Marianetti
+	First-principles determination of the phonon-point defect scattering and thermal transport due to fission products in ThO2	2023	Linu Malakkal Ankita Katre Shuxiang Zhou Chao Jiang David H. Hurley Chris A. Marianetti Marat Khafizov
+	Phonon thermal transport in UO$_2$ via self-consistent perturbation theory	2023	Shuxiang Zhou Enda Xiao Hao Ma Krzysztof Gofryk Chao Jiang M. E. Manley David H. Hurley Chris A. Marianetti
+ PDF Chat	Precise ground state of multiorbital Mott systems via the variational discrete action theory	2022	Zhengqian Cheng Chris A. Marianetti
+ PDF Chat	Validating first-principles phonon lifetimes via inelastic neutron scattering	2022	Enda Xiao Hao Ma Matthew S. Bryan Lyuwen Fu J. Matthew Mann Barry Winn D. L. Abernathy Raphaël P. Hermann Amey Khanolkar Cody A. Dennett
+ PDF Chat	Advances in actinide thin films: synthesis, properties, and future directions	2022	Kevin D. Vallejo Firoza Kabir Narayan Poudel Chris A. Marianetti David H. Hurley Paul J. Simmonds Cody A. Dennett Krzysztof Gofryk
+	Capturing the ground state of uranium dioxide from first principles: Crystal distortion, magnetic structure, and phonons	2022	Shuxiang Zhou Hao Ma Enda Xiao Krzysztof Gofryk Chao Jiang M. E. Manley David H. Hurley Chris A. Marianetti
+ PDF Chat	Generalized quasiharmonic approximation via space group irreducible derivatives	2022	Mark A. Mathis Amey Khanolkar Lyuwen Fu Matthew S. Bryan Cody A. Dennett Karl Rickert J. Matthew Mann Barry Winn D. L. Abernathy M. E. Manley
+	Validating First-Principles Phonon Lifetimes via Inelastic Neutron Scattering	2022	Enda Xiao Hao Ma Matthew S. Bryan Lyuwen Fu J. Matthew Mann Barry Winn D. L. Abernathy Raphaël P. Hermann Amey Khanolkar Cody A. Dennett
+	Capturing the ground state of uranium dioxide from first principles: crystal distortion, magnetic structure, and phonons	2022	Shuxiang Zhou Hao Ma Enda Xiao Krzysztof Gofryk Chao Jiang M. E. Manley David H. Hurley Chris A. Marianetti
+	Improving empirical interatomic potentials for predicting thermophysical properties by using an irreducible derivatives approach: The case of thorium dioxide	2022	Shuxiang Zhou Chao Jiang Enda Xiao M. Cooper Miaomiao Jin Chris A. Marianetti David H. Hurley Marat Khafizov
+	Advances in actinide thin films: synthesis, properties, and future directions	2022	K. D. Vallejo Fatima Kabir N. Poudel Chris A. Marianetti D. H. Hurley P. J. Simmonds C. A. Dennett K. Gofryk
+	Anharmonic phonon behavior via irreducible derivatives: self-consistent perturbation theory and molecular dynamics	2022	Enda Xiao Chris A. Marianetti
+	Precisely computing phonons via irreducible derivatives	2022	Sasaank Bandi Chris A. Marianetti
+ PDF Chat	Thermal Energy Transport in Oxide Nuclear Fuel	2021	David H. Hurley Anter El‐Azab Matthew S. Bryan M. Cooper Cody A. Dennett Krzysztof Gofryk Lingfeng He Marat Khafizov Gerard H. Lander M. E. Manley
+ PDF Chat	Foundations of variational discrete action theory	2021	Zhengqian Cheng Chris A. Marianetti
+ PDF Chat	Variational Discrete Action Theory	2021	Zhengqian Cheng Chris A. Marianetti
+ PDF Chat	Magnetic, transport and thermal properties of <i>δ</i>-phase UZr<sub>2</sub>	2020	Xiaxin Ding Tiankai Yao Lyuwen Fu Zilong Hua Jason Harp Chris A. Marianetti Madhab Neupane M. E. Manley David H. Hurley Krzysztof Gofryk
+ PDF Chat	Compositional phase stability of correlated electron materials within <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>DFT</mml:mi><mml:mtext>+</mml:mtext><mml:mi>DMFT</mml:mi></mml:math>	2020	Eric B. Isaacs Chris A. Marianetti
+ PDF Chat	Off-shell effective energy theory: A unified treatment of the Hubbard model from d=1 to d=∞	2020	Zhengqian Cheng Chris A. Marianetti
+ PDF Chat	Group theoretical approach to computing phonons and their interactions	2019	Lyuwen Fu Mordechai Kornbluth Zhengqian Cheng Chris A. Marianetti
+ PDF Chat	Approaching the Intrinsic Limit in Transition Metal Diselenides via Point Defect Control	2019	Drew Edelberg Daniel Rhodes Alexander Kerelsky Bumho Kim Jue Wang Amirali Zangiabadi Chanul Kim Abhinandan Antony Jenny Ardelean Micheál Scully
+	Uniaxial Strain Tuning of Superconductivity in 2$H$-NbSe$_{2}$	2019	Andrew Wieteska Ben Foutty Zurab Guguchia Felix Flicker Ben Mazel Lyuwen Fu Shuang Jia Chris A. Marianetti Jasper van Wezel Abhay N. Pasupathy
+	An optimal approach to computing phonons and their interactions via finite difference	2018	Lyuwen Fu Mordechai Kornbluth Chris A. Marianetti
+	Entropy functional approach for Fermionic lattice models	2018	Zhengqian Cheng Chris A. Marianetti
+ PDF Chat	Structural and metal-insulator transitions in rhenium-based double perovskites via orbital ordering	2018	Alex Taekyung Lee Chris A. Marianetti
+ PDF Chat	Signatures of the topological s +− superconducting order parameter in the type-II Weyl semimetal T d-MoTe2	2017	Zurab Guguchia Fabian O. von Rohr Z. Shermadini Alex Takyung Lee Soham Banerjee Andrew Wieteska Chris A. Marianetti Benjamin A. Frandsen H. Luetkens Zizhou Gong
+	Efficient Computation of Anharmonic Force Constants via q-space, with Application to Graphene	2017	Mordechai Kornbluth Chris A. Marianetti
+	Single-particle plus local reduced density matrix functional theory for Fermionic lattice models	2017	Zhengqian Cheng Chris A. Marianetti
+ PDF Chat	Compositional phase stability of strongly correlated electron materials within DFT+ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math>	2017	Eric B. Isaacs Chris A. Marianetti
+ PDF Chat	Electronic correlations in monolayer<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>VS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>	2016	Eric B. Isaacs Chris A. Marianetti
+ PDF Chat	Influence of quantum confinement and strain on orbital polarization of four-layer<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>LaNiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>superlattices: A DFT+DMFT study	2016	Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Pressure-Resistant Intermediate Valence in the Kondo Insulator<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>SmB</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>	2016	Nicholas P. Butch Johnpierre Paglione Paul Chow Yuming Xiao Chris A. Marianetti Corwin H. Booth Jason R. Jeffries
+	Hubbard operator density functional theory for Fermionic lattice models	2016	Zhengqian Cheng Chris A. Marianetti
+	Applicability of DFT + U to U metal and U-Zr alloy	2016	Wei Xie Chris A. Marianetti Dane Morgan
+ PDF Chat	New class of planar ferroelectric Mott insulators via first-principles design	2015	Chanul Kim Hyowon Park Chris A. Marianetti
+ PDF Chat	Density functional versus spin-density functional and the choice of correlated subspace in multivariable effective action theories of electronic structure	2015	Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Density functional plus dynamical mean-field theory of the spin-crossover molecule<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mtext>Fe(phen)</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>(NCS)</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>	2015	Jia Chen Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Origin of Spinel Nanocheckerboards via First Principles	2015	Mordechai Kornbluth Chris A. Marianetti
+	Density functional versus spin-density functional and the choice of correlated subspace in multi-variable effective action theories of electronic structure	2015	Hyowon Park Andrew J. Millis Chris A. Marianetti
+	Origin of Spinel Nanocheckerboards via First Principles	2015	Mordechai Kornbluth Chris A. Marianetti
+	Origin of Spinel Nanocheckerboards via First Principles	2015	Mordechai Kornbluth Chris A. Marianetti
+	Density functional versus spin-density functional and the choice of correlated subspace in multi-variable effective action theories of electronic structure	2015	Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Charge transfer across transition-metal oxide interfaces: Emergent conductance and electronic structure	2014	Hanghui Chen Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Computing total energies in complex materials using charge self-consistent DFT + DMFT	2014	Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Selectively localized Wannier functions	2014	Runzhi Wang Emanuel A. Lazar Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Density functional plus dynamical mean-field theory of the metal-insulator transition in early transition-metal oxides	2014	Hung Dang Xinyuan Ai Andrew J. Millis Chris A. Marianetti
+ PDF Chat	First-Principles Approach to Nonlinear Lattice Dynamics: Anomalous Spectra in PbTe	2014	Yue Chen Xinyuan Ai Chris A. Marianetti
+ PDF Chat	Slave mode expansion for obtaining<i>ab initio</i>interatomic potentials	2014	Xinyuan Ai Yue Chen Chris A. Marianetti
+ PDF Chat	Three-dimensional metallic and two-dimensional insulating behavior in octahedral tantalum dichalcogenides	2014	Pierre Darancet Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Total energy calculations using DFT+DMFT: Computing the pressure phase diagram of the rare earth nickelates	2014	Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Ideal strength and phonon instability of strained monolayer materials	2014	Eric B. Isaacs Chris A. Marianetti
+ PDF Chat	Failure of DFT-based computations for a stepped-substrate-supported correlated Co wire	2014	Nader Zaki Hyowon Park Richard M. Osgood Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Covalency and the metal-insulator transition in titanate and vanadate perovskites	2014	Hung Dang Andrew J. Millis Chris A. Marianetti
+	Selectively Localized and Symmetric Wannier Functions	2014	Runzhi Wang Emanuel A. Lazar Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Engineering Correlation Effects via Artificially Designed Oxide Superlattices	2013	Hanghui Chen Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Experimental observation of spin-exchange-induced dimerization of an atomic one-dimensional system	2013	Nader Zaki Chris A. Marianetti Danda P. Acharya Percy Zahl Peter Sutter Junichi Okamoto P. D. Johnson Andrew J. Millis Richard M. Osgood
+	Generalized optimization of Wannier functions	2013	Emanuel A. Lazar Hyowon Park Chris A. Marianetti Andy Millis
+ PDF Chat	Covalency, double-counting, and the metal-insulator phase diagram in transition metal oxides	2012	Xin Wang Moonsup Han Luca de’ Medici Hyowon Park Chris A. Marianetti Andrew J. Millis
+ PDF Chat	Site-Selective Mott Transition in Rare-Earth-Element Nickelates	2012	Hyowon Park Andrew J. Millis Chris A. Marianetti
+ PDF Chat	Dynamical Mean-Field Theory of Nickelate Superlattices	2011	Myung Joon Han Xin Wang Chris A. Marianetti Andrew J. Millis
+ PDF Chat	Dynamical Mean-Field Theory for Quantum Chemistry	2011	Nan Lin Chris A. Marianetti Andrew J. Millis David R. Reichman
+ PDF Chat	Failure Mechanisms of Graphene under Tension	2010	Chris A. Marianetti Hannah Yevick
+ PDF Chat	Chemical control of orbital polarization in artificially structured transition-metal oxides:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>La</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:mtext>Ni</mml:mtext><mml:mi>X</mml:mi><mml:msub><mml:mtext>O</mml:mtext><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mrow><mml:mo>(</mml:…	2010	Myung Joon Han Chris A. Marianetti A. J. Millis
+	Chemical Control of Orbital Polarization in Artificially Structured Transition Metal Oxide Materials: the case of La2NiXO6	2010	Myung Joon Han Chris A. Marianetti Andrew J. Millis
+	Electronic coherence in $\delta$-Pu: A DMFT study	2008	Chris A. Marianetti Kristjan Haule Gabriel Kotliar M. J. Fluss
+ PDF Chat	Dynamical mean-field theory study of Nagaoka ferromagnetism	2008	Hyowon Park Kristjan Haule Chris A. Marianetti Gabriel Kotliar
+	Electronic coherence in $δ$-Pu: A DMFT study	2008	Chris A. Marianetti Kristjan Haule Gabriel Kotliar M. J. Fluss
+ PDF Chat	Quasiparticle Dispersion and Heat Capacity of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Na</mml:mi><mml:mn>0.3</mml:mn></mml:msub><mml:msub><mml:mi>CoO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>: A Dynamical Mean-Field Theory Study	2007	Chris A. Marianetti Kristjan Haule Olivier Parcollet
+	One-electron physics of the actinides	2007	Antonina Toropova Chris A. Marianetti Kristjan Haule Gabriel Kotliar
+ PDF Chat	Na-Induced Correlations in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Na</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>CoO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>	2007	Chris A. Marianetti Gabriel Kotliar
+ PDF Chat	Electronic structure calculations with dynamical mean-field theory	2006	Gabriel Kotliar Sergey Y. Savrasov Kristjan Haule V. S. Oudovenko Olivier Parcollet Chris A. Marianetti
+ PDF Chat	First-principles prediction of redox potentials in transition-metal compounds with<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math>	2004	Fei Zhou Matteo Cococcioni Chris A. Marianetti Dane Morgan Gerbrand Ceder
+	Towards more accurate First Principles prediction of redox potentials in transition-metal compounds with LDA+U	2004	Fei Zhou Matteo Cococcioni Chris A. Marianetti Dane Morgan Gerbrand Ceder
+ PDF Chat	Role of Hybridization in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow><mml:mi>Na</mml:mi></mml:mrow><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mrow><mml:mi>CoO</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>and the Effect of Hydration	2004	Chris A. Marianetti Gabriel Kotliar Gerbrand Ceder
+ PDF Chat	Phase separation in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Li</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">FePO</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>induced by correlation effects	2004	Fei Zhou Chris A. Marianetti Matteo Cococcioni Dane Morgan Gerbrand Ceder
+ PDF Chat	<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>S</mml:mi><mml:mo>=</mml:mo><mml:mfrac><mml:mrow><mml:mn>1</mml:mn></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:mfrac></mml:math>chains and spin-Peierls transition in TiOCl	2003	Alexander Seidel Chris A. Marianetti F. C. Chou Gerbrand Ceder Patrick A. Lee

Common Coauthors

Coauthor	Papers Together
Andrew J. Millis	22
Hyowon Park	15
David H. Hurley	11
Zhengqian Cheng	10
Enda Xiao	8
M. E. Manley	8
Gabriel Kotliar	7
Lyuwen Fu	7
Mordechai Kornbluth	6
Krzysztof Gofryk	6
Kristjan Haule	6
Shuxiang Zhou	5
Cody A. Dennett	5
Gerbrand Ceder	5
Dane Morgan	4
Eric B. Isaacs	4
J. Matthew Mann	4
Matthew S. Bryan	4
Marat Khafizov	3
Fei Zhou	3
D. L. Abernathy	3
Amey Khanolkar	3
Emanuel A. Lazar	3
Abhay N. Pasupathy	3
Myung Joon Han	3
Matteo Cococcioni	3
Barry Winn	3
Xinyuan Ai	3
Chao Jiang	3
Hao Ma	3
Richard M. Osgood	2
Karl Rickert	2
Hao Ma	2
Chao Jiang	2
Chanul Kim	2
Yue Chen	2
Zurab Guguchia	2
Xin Wang	2
M. Cooper	2
Olivier Parcollet	2
Hung Dang	2
Raphaël P. Hermann	2
Runzhi Wang	2
Andrew Wieteska	2
Nader Zaki	2
M. J. Fluss	2
Hanghui Chen	2
Mark A. Mathis	1
Drew Edelberg	1
Fatima Kabir	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	Electronic structure calculations with dynamical mean-field theory	2006	Gabriel Kotliar Sergey Y. Savrasov Kristjan Haule V. S. Oudovenko Olivier Parcollet Chris A. Marianetti	26
+ PDF Chat	Projector augmented-wave method	1994	Peter E. Blöchl	21
+ PDF Chat	Continuous-Time Solver for Quantum Impurity Models	2006	Philipp Werner Armin Comanac Luca de’ Medici Matthias Troyer Andrew J. Millis	13
+ PDF Chat	Continuous-time Monte Carlo methods for quantum impurity models	2011	Emanuel Gull Andrew J. Millis A. I. Lichtenstein A. N. Rubtsov Matthias Troyer Philipp Werner	13
+ PDF Chat	Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base	2007	Kristjan Haule	12
+ PDF Chat	wannier90: A tool for obtaining maximally-localised Wannier functions	2007	Arash A. Mostofi Jonathan R. Yates Young‐Su Lee Ivo Souza David Vanderbilt Nicola Marzari	11
+ PDF Chat	Total energy calculations using DFT+DMFT: Computing the pressure phase diagram of the rare earth nickelates	2014	Hyowon Park Andrew J. Millis Chris A. Marianetti	11
+ PDF Chat	Site-Selective Mott Transition in Rare-Earth-Element Nickelates	2012	Hyowon Park Andrew J. Millis Chris A. Marianetti	9
+ PDF Chat	Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models	2006	Philipp Werner Andrew J. Millis	8
+ PDF Chat	Covalency, double-counting, and the metal-insulator phase diagram in transition metal oxides	2012	Xin Wang Moonsup Han Luca de’ Medici Hyowon Park Chris A. Marianetti Andrew J. Millis	8
+ PDF Chat	Dynamical mean-field theory within the full-potential methods: Electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>CeIrIn</mml:mtext></mml:mrow><mml:mn>5</mml:mn></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>CeCoIn</mml:mtext></mml:mrow><mml:mn>5</mml:mn></mml:msub></mml:mrow></mml:math>, and<mml:math xmlns:…	2010	Kristjan Haule Chuck-Hou Yee Kyoo Kim	8
+ PDF Chat	Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals	2008	Bernard Amadon Frank Lechermann Antoine Georges F. Jollet T. O. Wehling A. I. Lichtenstein	7
+ PDF Chat	Linear response approach to the calculation of the effective interaction parameters in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">U</mml:mi></mml:mrow></mml:math>method	2005	Matteo Cococcioni Stefano de Gironcoli	7
+ PDF Chat	Maximally localized generalized Wannier functions for composite energy bands	1997	Nicola Marzari David Vanderbilt	7
+ PDF Chat	Phonons and related crystal properties from density-functional perturbation theory	2001	Stefano Baroni Stefano de Gironcoli Andrea Dal Corso Paolo Giannozzi	6
+ PDF Chat	Computing total energies in complex materials using charge self-consistent DFT + DMFT	2014	Hyowon Park Andrew J. Millis Chris A. Marianetti	6
+ PDF Chat	Covalency and the metal-insulator transition in titanate and vanadate perovskites	2014	Hung Dang Andrew J. Millis Chris A. Marianetti	6
+ PDF Chat	Group theoretical approach to computing phonons and their interactions	2019	Lyuwen Fu Mordechai Kornbluth Zhengqian Cheng Chris A. Marianetti	6
+ PDF Chat	Double counting in LDA+DMFT—The example of NiO	2010	M. Karolak G. Ulm T. O. Wehling В. В. Мазуренко A. I. Poteryaev A. I. Lichtenstein	6
+ PDF Chat	Role of Hybridization in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow><mml:mi>Na</mml:mi></mml:mrow><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mrow><mml:mi>CoO</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>and the Effect of Hydration	2004	Chris A. Marianetti Gabriel Kotliar Gerbrand Ceder	6
+ PDF Chat	Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:msup><mml:mi>d</mml:mi><mml:mn>1</mml:mn></mml:msup></mml:math>Perovskites	2004	Eva Pavarini Silke Biermann A. I. Poteryaev A. I. Lichtenstein Antoine Georges O. K. Andersen	6
+ PDF Chat	Importance of electronic correlations for structural and magnetic properties of the iron pnictide superconductor LaFeAsO	2011	Markus Aichhorn Leonid V. Pourovskii Antoine Georges	5
+ PDF Chat	QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials	2009	Paolo Giannozzi Stefano Baroni Nicola Bonini Matteo Calandra Roberto Car Carlo Cavazzoni Davide Ceresoli G. Chiarotti Matteo Cococcioni Ismaïla Dabo	5
+ PDF Chat	Maximally localized Wannier functions: Theory and applications	2012	Nicola Marzari Arash A. Mostofi Jonathan R. Yates Ivo Souza David Vanderbilt	5
+	Self-consistency over the charge density in dynamical mean-field theory: A linear muffin-tin implementation and some physical implications	2007	Leonid V. Pourovskii Bernard Amadon Silke Biermann Antoine Georges	5
+ PDF Chat	Calculations of Hubbard<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>U</mml:mi></mml:math>from first-principles	2006	F. Aryasetiawan K. Karlsson O. Jepsen U. Schönberger	5
+ PDF Chat	Turning a Nickelate Fermi Surface into a Cupratelike One through Heterostructuring	2009	P. Hansmann Xiaoping Yang A. Toschi Giniyat Khaliullin O. K. Andersen Karsten Held	5
+ PDF Chat	Structural Relaxation due to Electronic Correlations in the Paramagnetic Insulator<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>KCuF</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>	2008	I. Leonov N. Binggeli Dmitry M. Korotin В. И. Анисимов Nataša Stojić D. Vollhardt	4
+ PDF Chat	Local density approximation combined with Gutzwiller method for correlated electron systems: Formalism and applications	2009	Xiaoyu Deng Lei Wang Xi Dai Zhong Fang	4
+ PDF Chat	Cerium Volume Collapse: Results from the Merger of Dynamical Mean-Field Theory and Local Density Approximation	2001	Karsten Held A. K. McMahan R. T. Scalettar	4
+ PDF Chat	The ALPS project release 1.3: Open-source software for strongly correlated systems	2006	A. Fabricio Albuquerque Fabien Alet Philippe Corboz P. Dayal Adrian Feiguin Sebastian Fuchs Lukas Gamper Emanuel Gull Steffen Gürtler A. Honecker	4
+ PDF Chat	Density functional versus spin-density functional and the choice of correlated subspace in multivariable effective action theories of electronic structure	2015	Hyowon Park Andrew J. Millis Chris A. Marianetti	4
+ PDF Chat	Engineering Correlation Effects via Artificially Designed Oxide Superlattices	2013	Hanghui Chen Andrew J. Millis Chris A. Marianetti	4
+ PDF Chat	Quantum cluster theories	2005	Thomas Maier Mark Jarrell Thomas Pruschke Matthias H. Hettler	4
+ PDF Chat	Absence of magnetic moments in plutonium	2005	J. C. Lashley A. C. Lawson R. J. McQueeney G. H. Lander	4
+ PDF Chat	Asymmetric Orbital-Lattice Interactions in Ultrathin Correlated Oxide Films	2011	J. Chakhalian James M. Rondinelli Jian Liu Benjamin Gray M. Kareev E. J. Moon Narayan Prasai J. L. Cohn M. Varela I‐Cheng Tung	4
+ PDF Chat	Orbital Order and Possible Superconductivity in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>LaNiO</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mo>/</mml:mo><mml:msub><mml:mi>LaMO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>Superlattices	2008	Jiří Chaloupka Giniyat Khaliullin	4
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