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Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space

The Journal of chemical physics, 2012-05, Vol.136 (20), p.204117-204117-10

2012

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Theory of defect levels and the "band gap problem" in silicon

Physical review letters, 2006-06, Vol.96 (24), p.246401-246401, Article 246401

Schultz, Peter A

2006

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Roadmap on multiscale materials modeling

Modelling and simulation in materials science and engineering, 2020-06, Vol.28 (4), p.43001

2020

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Defect level distributions and atomic relaxations induced by charge trapping in amorphous silica

Applied physics letters, 2012-04, Vol.100 (17), p.172908-172908-4

2012

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Density Functional Theory and DFT+U Study of Transition Metal Porphines Adsorbed on Au(111) Surfaces and Effects of Applied Electric Fields

Journal of the American Chemical Society, 2006-03, Vol.128 (11), p.3659-3668

2006

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Climate change and older Americans: state of the science

Environmental health perspectives, 2013-01, Vol.121 (1), p.15-15

2013

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The E1-E2 center in gallium arsenide is the divacancy

Journal of physics. Condensed matter, 2015-02, Vol.27 (7), p.075801-075801

Schultz, Peter A

2015

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First-principles calculations of metal surfaces. I. Slab-consistent bulk reference for convergent surface properties

Physical review. B, 2021-05, Vol.103 (19), p.1, Article 195426

Schultz, Peter A.

2021

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The journey from forensic to predictive materials science using density functional theory

Modelling and simulation in materials science and engineering, 2017-10, Vol.25 (7), p.71003

Schultz, Peter A

2017

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Theory of persistent, p-type, metallic conduction in c-GeTe

Journal of physics. Condensed matter, 2005-08, Vol.17 (32), p.L329-L335

2005

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Mechanical properties of metal dihydrides

Modelling and simulation in materials science and engineering, 2016-03, Vol.24 (3), p.35005-35027

2016

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Effects of nitrogen on the interface density of states distribution in 4H-SiC metal oxide semiconductor field effect transistors: Super-hyperfine interactions and near interface silicon vacancy energy levels

Journal of applied physics, 2018-11, Vol.124 (18)

2018

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Theoretical study of intrinsic defects in cubic silicon carbide 3C-SiC

Physical review. B, 2021-05, Vol.103 (19), p.1

2021

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Discriminating a deep gallium antisite defect from shallow acceptors in GaAs using supercell calculations

Physical review. B, 2016-03, Vol.93 (12), Article 125201

Schultz, Peter A.

2016

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Density Functional Theory Study of the Geometry, Energetics, and Reconstruction Process of Si(111) Surfaces

Langmuir, 2005-12, Vol.21 (26), p.12404-12414

2005

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Assessment of projected temperature impacts from climate change on the U.S. electric power sector using the Integrated Planning Model

Energy policy, 2014-10, Vol.73, p.524-539

2014

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First-principles investigation of low energy E' center precursors in amorphous silica

Physical review letters, 2011-05, Vol.106 (20), p.206402-206402, Article 206402

2011

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Designing meaningful density functional theory calculations in materials science—a primer

Modelling and simulation in materials science and engineering, 2005-01, Vol.13 (1), p.R1-R31

2005

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Simple intrinsic defects in gallium arsenide

Modelling and simulation in materials science and engineering, 2009-12, Vol.17 (8), p.084007-084007 (35)

2009

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First-principles calculations of metal surfaces. II. Properties of low-index platinum surfaces toward understanding electron emission

Physical review. B, 2021-05, Vol.103 (19), p.1, Article 195427

2021

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Interface Effects on Total Energy Calculations for Radiation-Induced Defects

IEEE transactions on nuclear science, 2013-12, Vol.60 (6), p.4109-4115

2013

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Efficient hybrid evolutionary optimization of interatomic potential models

The Journal of chemical physics, 2010-01, Vol.132 (2), p.024108-024108-13

2010

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Modelling challenges for battery materials and electrical energy storage

Modelling and simulation in materials science and engineering, 2013-10, Vol.21 (7), p.70301-1

2013

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All-atom ab initio energy minimization of the kaolinite crystal structure

The American mineralogist, 1997-08, Vol.82 (7-8), p.657-662

1997

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Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space

Theory of defect levels and the "band gap problem" in silicon

Roadmap on multiscale materials modeling

Nanoscale Three-Dimensional Imaging of Integrated Circuits Using a Scanning Electron Microscope and Transition-Edge Sensor Spectrometer

Defect level distributions and atomic relaxations induced by charge trapping in amorphous silica

Density Functional Theory and DFT+U Study of Transition Metal Porphines Adsorbed on Au(111) Surfaces and Effects of Applied Electric Fields

Climate change and older Americans: state of the science

The E1-E2 center in gallium arsenide is the divacancy

First-principles calculations of metal surfaces. I. Slab-consistent bulk reference for convergent surface properties

The journey from forensic to predictive materials science using density functional theory

Theory of persistent, p-type, metallic conduction in c-GeTe

Mechanical properties of metal dihydrides

Effects of nitrogen on the interface density of states distribution in 4H-SiC metal oxide semiconductor field effect transistors: Super-hyperfine interactions and near interface silicon vacancy energy levels

Theoretical study of intrinsic defects in cubic silicon carbide 3C-SiC

Discriminating a deep gallium antisite defect from shallow acceptors in GaAs using supercell calculations

Density Functional Theory Study of the Geometry, Energetics, and Reconstruction Process of Si(111) Surfaces

Assessment of projected temperature impacts from climate change on the U.S. electric power sector using the Integrated Planning Model

First-principles investigation of low energy E' center precursors in amorphous silica

Designing meaningful density functional theory calculations in materials science—a primer

Simple intrinsic defects in gallium arsenide

First-principles calculations of metal surfaces. II. Properties of low-index platinum surfaces toward understanding electron emission

Interface Effects on Total Energy Calculations for Radiation-Induced Defects

Efficient hybrid evolutionary optimization of interatomic potential models

Modelling challenges for battery materials and electrical energy storage

All-atom ab initio energy minimization of the kaolinite crystal structure

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