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Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

Advanced functional materials, 2011-12, Vol.21 (23), p.4493-4501

2011

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Genetic-algorithm discovery of a direct-gap and optically allowed superstructure from indirect-gap Si and Ge semiconductors

Physical review letters, 2012-01, Vol.108 (2), p.027401-027401, Article 027401

2012

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A Caching Scheme To Accelerate Kinetic Monte Carlo Simulations of Catalytic Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-09, Vol.124 (35), p.7140-7154

2020

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MUSE: An open-source agent-based integrated assessment modelling framework

Energy strategy reviews, 2022-11, Vol.44, p.100964, Article 100964

2022

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Simple point-ion electrostatic model explains the cation distribution in spinel oxides

Physical review letters, 2010-08, Vol.105 (7), p.075501-075501, Article 075501

2010

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Genomic Design of Strong Direct-Gap Optical Transition in Si/Ge Core/Multishell Nanowires

Nano letters, 2012-02, Vol.12 (2), p.984-991

2012

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Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions

The Journal of chemical physics, 2013-12, Vol.139 (22), p.224706-224706

2013

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Li-Doped Cr2MnO4: A New p-Type Transparent Conducting Oxide by Computational Materials Design

Advanced functional materials, 2013-11, Vol.23 (42), p.5267-5276

2013

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Chemical Descriptors of Yttria-Stabilized Zirconia at Low Defect Concentration: An ab Initio Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-06, Vol.119 (24), p.6412-6420

2015

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Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS

Applied physics letters, 2012-01, Vol.100 (3), p.032104-032104-4

2012

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Density functional theory description of hole-trapping in SiO2 : A self-interaction-corrected approach

Physical review. B, Condensed matter and materials physics, 2005-05, Vol.71 (20), p.205210.1-205210.5

2005

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Finding the atomic configuration with a required physical property in multi-atom structures

Journal of physics. Condensed matter, 2007-10, Vol.19 (40), p.402201-402201 (7)

2007

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Long-range order instead of phase separation in large lattice-mismatch isovalent AX − BX systems

Physical review. B, Condensed matter and materials physics, 2009-12, Vol.80 (24), Article 241202

2009

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Abnormal morphology biases hematocrit distribution in tumor vasculature and contributes to heterogeneity in tissue oxygenation

Proceedings of the National Academy of Sciences - PNAS, 2020-11, Vol.117 (45), p.27811-27819

2020

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Universal Electrostatic Origin of Cation Ordering in A2BO4 Spinel Oxides

Journal of the American Chemical Society, 2011-08, Vol.133 (30), p.11649-11654

2011

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Robust sparse image reconstruction of radio interferometric observations with purify

Monthly notices of the Royal Astronomical Society, 2018-01, Vol.473 (1), p.1038-1058

2018

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Universal Electrostatic Origin of Cation Ordering in A(2)BO(4) Spinel Oxides

Journal of the American Chemical Society, 2011-08, Vol.133 (30)

2011

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Identifying the minimum-energy atomic configuration on a lattice: Lamarckian twist on Darwinian evolution

Physical review. B, Condensed matter and materials physics, 2008-08, Vol.78 (6), Article 064102

2008

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Spin and orbital magnetic response in metals: Susceptibility and NMR shifts

Physical review. B, Condensed matter and materials physics, 2007-10, Vol.76 (16), Article 165122

2007

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Magnetic response and NMR spectra of carbon nanotubes from ab initio calculations

Physical review. B, Condensed matter and materials physics, 2006-03, Vol.73 (12), Article 125433

2006

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The atomistic structure of yttria stabilised zirconia at 6.7 mol%: an ab initio study

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (45), p.31277-31285

2016

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Doping Rules and Doping Prototypes in A 2 BO 4 Spinel Oxides

Advanced functional materials, 2011-12, Vol.21 (23), p.4493-4501

2011

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Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

Advanced functional materials, 2011-10, Vol.21 (23)

2011

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Learning to Predict Physical Properties using Sums of Separable Functions

SIAM journal on scientific computing, 2011-01, Vol.33 (6), p.3381-3401

2011

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Li‐Doped Cr 2 MnO 4 : A New p‐Type Transparent Conducting Oxide by Computational Materials Design

Advanced functional materials, 2013-11, Vol.23 (42), p.5267-5276

2013

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Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

Genetic-algorithm discovery of a direct-gap and optically allowed superstructure from indirect-gap Si and Ge semiconductors

A Caching Scheme To Accelerate Kinetic Monte Carlo Simulations of Catalytic Reactions

MUSE: An open-source agent-based integrated assessment modelling framework

Simple point-ion electrostatic model explains the cation distribution in spinel oxides

Genomic Design of Strong Direct-Gap Optical Transition in Si/Ge Core/Multishell Nanowires

Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions

Li-Doped Cr2MnO4: A New p-Type Transparent Conducting Oxide by Computational Materials Design

Chemical Descriptors of Yttria-Stabilized Zirconia at Low Defect Concentration: An ab Initio Study

Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS

Density functional theory description of hole-trapping in SiO2 : A self-interaction-corrected approach

Finding the atomic configuration with a required physical property in multi-atom structures

Long-range order instead of phase separation in large lattice-mismatch isovalent AX − BX systems

Abnormal morphology biases hematocrit distribution in tumor vasculature and contributes to heterogeneity in tissue oxygenation

Universal Electrostatic Origin of Cation Ordering in A2BO4 Spinel Oxides

Robust sparse image reconstruction of radio interferometric observations with purify

Universal Electrostatic Origin of Cation Ordering in A(2)BO(4) Spinel Oxides

Identifying the minimum-energy atomic configuration on a lattice: Lamarckian twist on Darwinian evolution

Spin and orbital magnetic response in metals: Susceptibility and NMR shifts

Magnetic response and NMR spectra of carbon nanotubes from ab initio calculations

The atomistic structure of yttria stabilised zirconia at 6.7 mol%: an ab initio study

Doping Rules and Doping Prototypes in A 2 BO 4 Spinel Oxides

Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

Learning to Predict Physical Properties using Sums of Separable Functions

Li‐Doped Cr 2 MnO 4 : A New p‐Type Transparent Conducting Oxide by Computational Materials Design

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