M. Graham Lopez

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All published works

Action	Title	Year	Authors
+	Adaptive Sparse Grids for Fusion Relevant High Dimensional PDEs	2019	David Green Lin Mu Ed D'Azevedo Tyler McDaniel Wael Elwasif M. Graham Lopez Tim Younkin Adam McDaniel
+ PDF Chat	<tt>QMCPACK</tt>: an open source<i>ab initio</i>quantum Monte Carlo package for the electronic structure of atoms, molecules and solids	2018	Jeongnim Kim Andrew Baczewski Todd D. Beaudet Anouar Benali M. Chandler Bennett M. Berrill Nick S. Blunt Edgar Josué Landinez Borda Michele Casula David M. Ceperley
+ PDF Chat	NMR study of small molecule adsorption in MOF-74-Mg	2013	M. Graham Lopez Pieremanuele Canepa Timo Thonhauser
+ PDF Chat	Wannier-based calculation of the orbital magnetization in crystals	2012	M. Graham Lopez David Vanderbilt Timo Thonhauser Ivo Souza
+ PDF Chat	<i>Ab initio</i>converse NMR approach for pseudopotentials	2010	Davide Ceresoli Nicola Marzari M. Graham Lopez Timo Thonhauser

Common Coauthors

Coauthor	Papers Together
Timo Thonhauser	3
Fionn D. Malone	1
Shuai Zhang	1
Tim Younkin	1
William D. Parker	1
Nicola Marzari	1
Davide Ceresoli	1
Eric Neuscamman	1
Luke Shulenburger	1
Raymond C. Clay	1
David M. Ceperley	1
Andrew Baczewski	1
Nichols A. Romero	1
Nick S. Blunt	1
Anouar Benali	1
Joshua Townsend	1
Olle Heinonen	1
Jeongnim Kim	1
Cody Melton	1
Ivo Souza	1
Lubos Mitáš	1
Adam McDaniel	1
Kris T. Delaney	1
Jeremy McMinis	1
Brenda M. Rubenstein	1
Richard M. Martin	1
Jordan Vincent	1
Mark Dewing	1
Hyeondeok Shin	1
Simone Chiesa	1
Todd D. Beaudet	1
Wael Elwasif	1
Andreas F. Tillack	1
Jacqueline A. R. Shea	1
Ye Luo	1
Pieremanuele Canepa	1
Luning Zhao	1
D. ChangMo Yang	1
Ying Wai Li	1
Paul R. C. Kent	1
Lin Mu	1
Jaron T. Krogel	1
Sergio D. Pineda Flores	1
Norm M. Tubman	1
Michele Casula	1
Hongxia Hao	1
Bryan K. Clark	1
Brett Van Der Goetz	1
Amrita Mathuriya	1
Tyler McDaniel	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ 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	4
+ PDF Chat	All-electron magnetic response with pseudopotentials: NMR chemical shifts	2001	Chris J. Pickard Francesco Mauri	3
+ PDF Chat	A converse approach to the calculation of NMR shielding tensors	2009	Timo Thonhauser Davide Ceresoli Arash A. Mostofi Nicola Marzari Raffaele Resta David Vanderbilt	3
+ PDF Chat	Orbital Magnetization in Periodic Insulators	2005	Timo Thonhauser Davide Ceresoli David Vanderbilt Raffaele Resta	3
+ PDF Chat	NMR shifts for polycyclic aromatic hydrocarbons from first‐principles	2009	Timo Thonhauser Davide Ceresoli Nicola Marzari	3
+ PDF Chat	Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals	2006	Davide Ceresoli Timo Thonhauser David Vanderbilt Raffaele Resta	3
+ PDF Chat	Van der Waals Density Functional for General Geometries	2004	M. Dion Hanna A. Rydberg Elsebeth Schröder David C. Langreth Bengt I. Lundqvist	2
+ PDF Chat	<i>Ab Initio</i>Theory of NMR Chemical Shifts in Solids and Liquids	1996	Francesco Mauri Bernd Pfrommer Steven G. Louie	2
+ PDF Chat	THEORY OF ORBITAL MAGNETIZATION IN SOLIDS	2011	Timo Thonhauser	2
+ PDF Chat	Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory	2007	S. Sharma Stefano Pittalis Stefan Kurth S. Shallcross J. K. Dewhurst E. K. U. Gross	2
+ PDF Chat	Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond	2007	Timo Thonhauser Valentino R. Cooper Li Shen Aaron Puzder Per Hyldgaard David C. Langreth	2
+ PDF Chat	<i>Ab initio</i>converse NMR approach for pseudopotentials	2010	Davide Ceresoli Nicola Marzari M. Graham Lopez Timo Thonhauser	2
+ PDF Chat	First-principles theory of orbital magnetization	2010	Davide Ceresoli U. Gerstmann Ari P. Seitsonen Francesco Mauri	2
+ PDF Chat	Berry Phase Correction to Electron Density of States in Solids	2005	Di Xiao Junren Shi Qian Niu	2
+ PDF Chat	Quantum Theory of Orbital Magnetization and Its Generalization to Interacting Systems	2007	Junren Shi Giovanni Vignale Di Xiao Qian Niu	2
+ PDF Chat	Efficient<b>k</b>⋅<b>p</b>method for the calculation of total energy and electronic density of states	2001	Marcella Iannuzzi Michele Parrinello	2
+ PDF Chat	Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions	2007	C. J. Umrigar Julien Toulouse Claudia Filippi Sandro Sorella Richard G. Hennig	1
+ PDF Chat	Exact-Exchange Spin-Current Density-Functional Theory	2006	Stefan Rohra Andreas Görling	1
+	The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus	2015	Luke Shulenburger Andrew Baczewski Zhen Zhu Jie Guan David Tománek	1
+ PDF Chat	Inhomogeneous backflow transformations in quantum Monte Carlo calculations	2006	Pablo López Ríos Ao Ma N. D. Drummond M. D. Towler R. J. Needs	1
+ PDF Chat	Renyi entropy of the interacting Fermi liquid	2013	Jeremy McMinis Norm M. Tubman	1
+ PDF Chat	Gauge-invariant formulation of spin-current density-functional theory	2010	Saeed H. Abedinpour Giovanni Vignale I. V. Tokatly	1
+ PDF Chat	Nature and Strength of Interlayer Binding in Graphite	2009	Leonardo Spanu Sandro Sorella Giulia Galli	1
+ PDF Chat	Diffusion quantum Monte Carlo study of the equation of state and point defects in aluminum	2012	Randolph Q. Hood Paul R. C. Kent Fernando A. Reboredo	1
+ PDF Chat	Point-defect optical transitions and thermal ionization energies from quantum Monte Carlo methods: Application to the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>F</mml:mi></mml:math>-center defect in MgO	2013	Elif Ertekin Lucas K. Wagner Jeffrey C. Grossman	1
+ PDF Chat	Quantum Monte Carlo study of the first-row atoms and ions	2011	Priyanka Seth Pablo López Ríos R. J. Needs	1
+ PDF Chat	First-principles approach to rotational-vibrational frequencies and infrared intensity for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">H</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>adsorbed in nanoporous materials	2011	Lingzhu Kong Yves J. Chabal David C. Langreth	1
+ PDF Chat	Analyzing the frequency shift of physiadsorbed CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>in metal organic framework materials	2012	Yanpeng Yao Nour Nijem Jing Li Yves J. Chabal David C. Langreth Timo Thonhauser	1
+ PDF Chat	Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo	2015	Juan A. Santana Jaron T. Krogel Jeongnim Kim Paul R. C. Kent Fernando A. Reboredo	1
+ PDF Chat	Fundamental High-Pressure Calibration from All-Electron Quantum Monte Carlo Calculations	2010	K. Esler R. E. Cohen Burkhard Militzer Jeongnim Kim R. J. Needs M. D. Towler	1
+ PDF Chat	Constrained path Monte Carlo method for fermion ground states	1997	Shiwei Zhang J. Carlson J. E. Gubernatis	1
+ PDF Chat	Temperature dependence of the spin and orbital magnetization density in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Sm</mml:mi></mml:mrow><mml:mrow><mml:mn>0.982</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Gd</mml:mi></mml:mrow><mml:mrow><mml:mn>0.018</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Al…	2002	J. W. Taylor J. A. Duffy A. M. Bebb M. R. Lees L. Bouchenoire S. D. Brown M. J. Cooper	1
+ PDF Chat	First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe	2004	Yugui Yao Leonard Kleinman A. H. MacDonald Jairo Sinova T. Jungwirth Ding-Sheng Wang Enge Wang Qian Niu	1
+ PDF Chat	Beyond the locality approximation in the standard diffusion Monte Carlo method	2006	Michele Casula	1
+ PDF Chat	Stability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration	2012	Kui Tan Nour Nijem Pieremanuele Canepa Qihan Gong Jing Li Timo Thonhauser Yves J. Chabal	1
+ PDF Chat	Projector augmented-wave method	1994	Peter E. Blöchl	1
+	Optimization algorithm for the generation of ONCV pseudopotentials	2015	Martin Schlipf François Gygi	1
+ PDF Chat	Nonlocal Pseudopotentials and Magnetic Fields	2003	Chris J. Pickard Francesco Mauri	1
+ PDF Chat	Maximally localized Wannier functions within the FLAPW formalism	2008	Frank Freimuth Yuriy Mokrousov Daniel Wortmann Stefan Heinze Stefan Blügel	1
+ PDF Chat	Simple impurity embedded in a spherical jellium: Approximations of density functional theory compared to quantum Monte Carlo benchmarks	2011	Michal Bajdich Paul R. C. Kent Jeongnim Kim Fernando A. Reboredo	1
+ PDF Chat	Quantum Monte Carlo Method using Phase-Free Random Walks with Slater Determinants	2003	Shiwei Zhang Henry Krakauer	1
+ PDF Chat	Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum Monte Carlo	2013	Wirawan Purwanto Shiwei Zhang Henry Krakauer	1
+ PDF Chat	<i>Ab initio</i>calculation of the anomalous Hall conductivity by Wannier interpolation	2006	Xinjie Wang Jonathan R. Yates Ivo Souza David Vanderbilt	1
+ PDF Chat	Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited	2010	Michele Casula Saverio Moroni Sandro Sorella Claudia Filippi	1
+ PDF Chat	Exchange-correlation vector potentials and vorticity-dependent exchange-correlation energy densities in two-dimensional systems	2004	A. Wensauer U. Rößler	1
+ PDF Chat	Jastrow correlation factor for atoms, molecules, and solids	2004	N. D. Drummond M. D. Towler R. J. Needs	1
+ PDF Chat	Why the Heyd-Scuseria-Ernzerhof hybrid functional description of VO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>phases is not correct	2012	Ricardo Grau‐Crespo Hao Wang Udo Schwingenschlögl	1
+ PDF Chat	Continuum variational and diffusion quantum Monte Carlo calculations	2009	R. J. Needs M. D. Towler N. D. Drummond Pablo López Ríos	1
+ PDF Chat	Accuracy of quantum Monte Carlo methods for point defects in solids	2010	William D. Parker John W. Wilkins Richard G. Hennig	1
+ PDF Chat	Quantum Monte Carlo applied to solids	2013	Luke Shulenburger Thomas R. Mattsson	1