Martijn Marsman

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All published works

Action	Title	Year	Authors
+ PDF Chat	Capturing spin-torque effects with a semilocal exchange-correlation functional	2025	Marie-Therese Huebsch Fabien Tran Martijn Marsman
+ PDF Chat	Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation	2025	Sudarshan Vijay Martin Schlipf Henrique P. C. Miranda Ferenc Karsai Merzuk Kaltak Martijn Marsman Georg Kresse
+	How to verify the precision of density-functional-theory implementations via reproducible and universal workflows	2023	Emanuele Bosoni Louis Beal Marnik Bercx Peter Blaha Stefan Blügel J. D. Broder Martin Callsen Stefaan Cottenier Augustin Degomme Vladimir Dikan
+ PDF Chat	Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method	2022	Manuel Engel Henrique P. C. Miranda Laurent Chaput Atsushi Togo Carla Verdi Martijn Marsman Georg Kresse
+ PDF Chat	Electron-phonon interactions using the projector augmented-wave method and Wannier functions	2020	Manuel Engel Martijn Marsman Cesare Franchini Georg Kresse
+	Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO	2019	Peitao Liu Cesare Franchini Martijn Marsman Georg Kresse
+	Charge self-consistent many-body corrections using optimized projected localized orbitals	2018	Malte Schüler Oleg E. Peil Gernot J. Kraberger Ronald Pordzik Martijn Marsman Georg Kresse T. O. Wehling Markus Aichhorn
+ PDF Chat	Embedding for bulk systems using localized atomic orbitals	2017	Florian Libisch Martijn Marsman Joachim Burgdörfer Georg Kresse
+ PDF Chat	NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations	2017	G. A. de Wijs Robert Laskowski Peter Blaha Remco W. A. Havenith Georg Kresse Martijn Marsman
+ PDF Chat	Anisotropic magnetic couplings and structure-driven canted to collinear transitions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>IrO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>by magnetically constrained noncollinear DFT	2015	Peitao Liu Sergii Khmelevskyi Bongjae Kim Martijn Marsman Dianzhong Li Xing‐Qiu Chen D. D. Sarma Georg Kresse Cesare Franchini
+ PDF Chat	Formation of a Positive Fixed Charge at<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>c</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Si</mml:mi><mml:mo stretchy="false">(</mml:mo><mml:mn>111</mml:mn><mml:mo stretchy="false">)</mml:mo><mml:mo>/</mml:mo><mml:mi>a</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mrow><mml:mi>Si</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi mathvariant="normal">N</mml:mi></mml:…	2015	L. E. Hintzsche Changming Fang Martijn Marsman M.W.P.E. Lamers A.W. Weeber Georg Kresse
+ PDF Chat	Magnetic structure map for face-centered tetragonal iron: Appearance of a collinear spin structure	2014	D. Reith R. Podloucky Martijn Marsman Pedro Bedolla-Velazquez P. Mohn
+ PDF Chat	Maximally localized Wannier functions in LaMnO<sub>3</sub>within PBE +<i>U</i>, hybrid functionals and partially self-consistent GW: an efficient route to construct<i>ab initio</i>tight-binding parameters for e<sub>g</sub>perovskites	2012	Cesare Franchini Roman Kováčik Martijn Marsman Sowmya Sathyanarayana Murthy Jiangang He Claude Ederer Georg Kresse
+	Maximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and GW: an efficient route to construct ab-initio tight-binding parameters for e_g perovskites	2011	Cesare Franchini Roman Kováčik Martijn Marsman Sowmya Sathyanarayana Murthy Junjie He Claude Ederer Georg Kresse
+ PDF Chat	Proximity of iron pnictide superconductors to a quantum tricritical point	2011	Gianluca Giovannetti Carmine Ortix Martijn Marsman Massimo Capone Jeroen van den Brink J. Lorenzana
+	The multiferroic phase of DyFeO<sub>3</sub>: an<i>ab initio</i>study	2010	Alessandro Stroppa Martijn Marsman Georg Kresse Silvia Picozzi
+ PDF Chat	Determining the anisotropic exchange coupling of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>CrO</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>via first-principles density functional theory calculations	2010	Hunter Sims Shawn J. Oset W. H. Butler J. M. MacLaren Martijn Marsman
+	The multiferroic phase of DyFeO$_{3}$: hidden $4f$ degree of freedoms revealed by ab-initio calculations	2009	Alessandro Stroppa Martijn Marsman Georg Kresse Silvia Picozzi
+	Hidden correlation and quasiparticle spectra in valence-skipper Peierls semiconductor $\rm BaBiO_3$ from self-consistent GW	2008	Cesare Franchini Antonio Sanna Martijn Marsman Georg Kresse
+	Structural, vibrational and quasiparticle properties of the Peierls semiconductor $\rm BaBiO_3$: a hybrid functional and self-consistent GW+vertex-corrections study	2008	Cesare Franchini Antonio Sanna Martijn Marsman Georg Kresse
+ PDF Chat	Energies of ions in water and nanopores within density functional theory	2007	Kevin Leung Martijn Marsman
+ PDF Chat	A new polymorphic material? Structural degeneracy of ZrMn <sub>2</sub>	2004	Xing‐Qiu Chen W. Wolf R. Podloucky P. Rogl Martijn Marsman

Common Coauthors

Coauthor	Papers Together
Georg Kresse	16
Cesare Franchini	7
Claude Ederer	2
Alessandro Stroppa	2
R. Podloucky	2
Sudarshan Vijay	2
Henrique P. C. Miranda	2
Roman Kováčik	2
Silvia Picozzi	2
Xing‐Qiu Chen	2
Antonio Sanna	2
Peitao Liu	2
Sowmya Sathyanarayana Murthy	2
Peter Blaha	2
Manuel Engel	2
P. Mohn	1
Tiziano Müller	1
Shawn J. Oset	1
Fabien Tran	1
Thomas Ruh	1
Malte Schüler	1
Matthias Krack	1
Hossein Mirhosseini	1
Joachim Burgdörfer	1
Florian Libisch	1
Pedro Bedolla-Velazquez	1
J. D. Broder	1
Laurent Chaput	1
Gernot J. Kraberger	1
Marnik Bercx	1
Markus Aichhorn	1
Sebastiaan P. Huber	1
Remco W. A. Havenith	1
Oleg Rubel	1
Sergii Khmelevskyi	1
Jiangang He	1
Marie-Therese Huebsch	1
Kurt Lejaeghere	1
Luigi Genovese	1
Martin Schlipf	1
Danny E. P. Vanpoucke	1
A.W. Weeber	1
Vladimir Dikan	1
Georg K. H. Madsen	1
Kristjan Eimre	1
Austin Zadoks	1
Dianzhong Li	1
Ronald Pordzik	1
Carla Verdi	1
M.W.P.E. Lamers	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	Projector augmented-wave method	1994	Peter E. Blöchl	12
+ PDF Chat	Maximally localized generalized Wannier functions for composite energy bands	1997	Nicola Marzari David Vanderbilt	4
+ PDF Chat	Maximally localized Wannier functions: Theory and applications	2012	Nicola Marzari Arash A. Mostofi Jonathan R. Yates Ivo Souza David Vanderbilt	4
+ 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	3
+ 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	2
+ PDF Chat	<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>DMFT</mml:mi></mml:mrow></mml:math>computation of the electronic spectrum of NiO	2006	Xinguo Ren I. Leonov G. Keller Marcus Kollar I. A. Nekrasov D. Vollhardt	2
+ PDF Chat	Electron-electron and electron-phonon correlation effects on the finite-temperature electronic and optical properties of zinc-blende GaN	2014	Hiroki Kawai Koichi Yamashita Elena Cannuccia Andrea Marini	2
+ PDF Chat	<i>Ab initio</i> electron-phonon interactions using atomic orbital wave functions	2018	Luis A. Agapito Marco Bernardi	2
+ PDF Chat	Electron-phonon interactions from first principles	2017	Feliciano Giustino	2
+ PDF Chat	Phonons and related crystal properties from density-functional perturbation theory	2001	Stefano Baroni Stefano de Gironcoli Andrea Dal Corso Paolo Giannozzi	2
+ PDF Chat	Fröhlich Electron-Phonon Vertex from First Principles	2015	Carla Verdi Feliciano Giustino	2
+ PDF Chat	Temperature dependence of the electronic structure of semiconductors and insulators	2015	Samuel Poncé Yannick Gillet Jonathan Laflamme Janssen Andrea Marini Matthieu J. Verstraete Xavier Gonze	2
+ PDF Chat	One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization	2016	Marios Zacharias Feliciano Giustino	2
+ PDF Chat	Comparing electron-phonon coupling strength in diamond, silicon, and silicon carbide: First-principles study	2014	Bartomeu Monserrat R. J. Needs	2
+ PDF Chat	Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced<i>ab initio</i>methods	2011	Thomas Archer C. D. Pemmaraju Stefano Sanvito Cesare Franchini Jiangang He Alessio Filippetti Pietro Delugas Danilo Puggioni Vincenzo Fiorentini Rajarshi Tiwari	2
+ PDF Chat	Electron-Phonon Coupling and the Metallization of Solid Helium at Terapascal Pressures	2014	Bartomeu Monserrat N. D. Drummond Chris J. Pickard R. J. Needs	2
+ 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	2
+ PDF Chat	Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs	2015	Jelena Sjakste Nathalie Vast Matteo Calandra Francesco Mauri	2
+ PDF Chat	The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table	2018	Michiel J. van Setten Matteo Giantomassi Éric Bousquet Matthieu J. Verstraete D. R. Hamann Xavier Gonze Gian‐Marco Rignanese	2
+ PDF Chat	Adiabatic and nonadiabatic phonon dispersion in a Wannier function approach	2010	Matteo Calandra G. Profeta Francesco Mauri	2
+ PDF Chat	Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo	2013	Samuel Poncé Gabriel Antonius P Boulanger Elena Cannuccia Andrea Marini Michel Côté Xavier Gonze	2
+ PDF Chat	Hybrid functional study of proper and improper multiferroics	2010	Alessandro Stroppa Silvia Picozzi	2
+ PDF Chat	Vibrational averages along thermal lines	2016	Bartomeu Monserrat	2
+ 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	1
+ PDF Chat	Resonant Addressing and Manipulation of Silicon Vacancy Qubits in Silicon Carbide	2012	Daniel Riedel F. Fuchs Hannes Kraus Stefan Väth Andreas Sperlich Vladimir Dyakonov Alexandra A. Soltamova P. G. Baranov Vladimir A. Ilyin G. V. Astakhov	1
+ PDF Chat	Ab-Initio Molecular Dynamics	2012	Thomas D. Kühne	1
+ PDF Chat	Coupling between the structural and magnetic transition in CeFeAsO	2010	Anton Jesche C. Krellner M De Souza Michael Lang C. Geibel	1
+ PDF Chat	Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaFeAsO	2008	Zhiping Yin Sébastien Lebègue∥ Myung Joon Han Brian Neal Sergey Y. Savrasov Warren E. Pickett	1
+ PDF Chat	Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation	2014	Samuel Poncé Gabriel Antonius Yannick Gillet P Boulanger Jonathan Laflamme Janssen Andrea Marini Michel Côté Xavier Gonze	1
+ PDF Chat	Density-based mixing parameter for hybrid functionals	2011	Miguel A. L. Marques Julien Vidal Micael J. T. Oliveira Lucia Reining Silvana Botti	1
+ PDF Chat	Bootstrap Approximation for the Exchange-Correlation Kernel of Time-Dependent Density-Functional Theory	2011	S. Sharma J. K. Dewhurst Antonio Sanna E. K. U. Gross	1
+ PDF Chat	Blue Quantum Fog: Chiral Condensation in Quantum Helimagnets	2006	Sumanta Tewari D. Belitz T. R. Kirkpatrick	1
+ PDF Chat	Local exact exchange potentials within the all-electron FLAPW method and a comparison with pseudopotential results	2011	Markus Betzinger Christoph Friedrich Stefan Blügel Andreas Görling	1
+ PDF Chat	Magnetic and structural transitions in layered iron arsenide systems:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>A</mml:mi><mml:msub><mml:mrow><mml:mtext>Fe</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>As</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>versus<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>R</mml:mi><mml:mtext>FeAsO</mml:mtext…	2008	C. Krellner N. Caroca‐Canales Anton Jesche H. Rösner Alim Ormeci C. Geibel	1
+ PDF Chat	Electronics with Correlated Oxides:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>SrVO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub><mml:mo>/</mml:mo><mml:msub><mml:mrow><mml:mi>SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>as a Mott Transistor	2015	Zhicheng Zhong Markus Wallerberger Jan M. Tomczak Ciro Taranto N. Parragh A. Toschi Giorgio Sangiovanni Karsten Held	1
+ PDF Chat	Magnetic Excitation Spectra of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>IrO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>Probed by Resonant Inelastic X-Ray Scattering: Establishing Links to Cuprate Superconductors	2012	Jungho Kim D. Casa M. H. Upton T. Gög Young‐June Kim J. F. Mitchell Michel van Veenendaal Maria Daghofer Jeroen van den Brink Giniyat Khaliullin	1
+ PDF Chat	Theory of the Helical Spin Crystal: A Candidate for the Partially Ordered State of MnSi	2006	B. Binz Ashvin Vishwanath Vivek Aji	1
+	Solving Oversampled Data Problems By Maximum Entropy	1990	R. K. Bryan	1
+	Optimization algorithm for the generation of ONCV pseudopotentials	2015	Martin Schlipf François Gygi	1
+ PDF Chat	Renormalized<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mi>ϕ</mml:mi><mml:mn>6</mml:mn></mml:msup></mml:mrow></mml:math>model for quantum phase transitions in systems of itinerant fermions	2009	Paweł Jakubczyk	1
+ PDF Chat	Competing orders and spin-density-wave instability in La(O <sub>1−x</sub> F <sub>x</sub> )FeAs	2008	Jing Dong Haijun Zhang Gang Xu Z. Li Gang Li W. Z. Hu Dong Wu G. F. Chen Xi Dai Jian Lin Luo	1
+ PDF Chat	Magnetic Susceptibility of Insulators from First Principles	1996	Francesco Mauri Steven G. Louie	1
+ PDF Chat	Automating first-principles phase diagram calculations	2002	Axel van de Walle Gerbrand Ceder	1
+ PDF Chat	Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides	2014	Ion Errea Matteo Calandra Francesco Mauri	1
+ PDF Chat	Separable dual-space Gaussian pseudopotentials	1996	Stefan Goedecker M. P. Teter Jürg Hutter	1
+ PDF Chat	Two-Dimensional Heisenberg Behavior of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>J</mml:mi><mml:mi>eff</mml:mi></mml:msub><mml:mo mathvariant="bold">=</mml:mo><mml:mn>1</mml:mn><mml:mo>/</mml:mo><mml:mn>2</mml:mn></mml:math>Isospins in the Paramagnetic State of the Spin-Orbital Mott Insulator<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>IrO</…	2012	Shigeki Fujiyama H. Ohsumi Takashi Komesu Jobu Matsuno Beomjoon Kim Masaki Takata T. Arima H. Takagi	1
+ PDF Chat	Domain Formation and Orbital Ordering Transition in a Doped Jahn-Teller Insulator	2006	Sanjeev Kumar A. P. Kampf Pinaki Majumdar	1
+ PDF Chat	Out-of-Plane Nesting Driven Spin Spiral in Ultrathin<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Fe</mml:mi><mml:mo>/</mml:mo><mml:mi>Cu</mml:mi><mml:mo stretchy="false">(</mml:mo><mml:mn>001</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math>Films	2010	Jun Miyawaki A. Chainani Y. Takata M. Mulazzi Masaki Oura Yasunori Senba Haruhiko Ohashi Shik Shin	1
+ PDF Chat	Relativistic separable dual-space Gaussian pseudopotentials from H to Rn	1998	C. Hartwigsen Stefan Goedecker Jürg Hutter	1
+ PDF Chat	Exceptionally strong magnetism in the 4<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>d</mml:mi></mml:mrow></mml:math>perovskites<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>R</mml:mi></mml:mrow></mml:math>TcO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow /><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>(<mml:math xmlns:mml…	2011	Cesare Franchini Thomas Archer Jiangang He Xing‐Qiu Chen Alessio Filippetti Stefano Sanvito	1