New Model Potential for Pseudopotential Calculations
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journal
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July 1971 |
Pauli-Force Model Potential for Solids
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journal
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March 1973 |
Structural index for elemental solids
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journal
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November 1972 |
Quantum-Defect Electronegativity Scale for Nontransition Elements
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journal
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October 1974 |
Quantum-defect theory of heats of formation and structural transition energies of liquid and solid simple metal alloys and compounds
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journal
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March 1978 |
Pseudopotentials and Crystal Structure
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book
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January 1981 |
Quantum-Defect Orbital Radii and the Structural Chemistry of Simple Solids
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book
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January 1981 |
Quantum Theory and Crystal Chemistry
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book
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January 1981 |
Atomic Radii in Crystals
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journal
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November 1964 |
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
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journal
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September 1976 |
An interpretation of structural sorting diagrams for AB type compounds using molecular orbital ideas
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journal
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January 1982 |
On the crystal chemistry of normal valence compounds
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journal
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December 1959 |
The Nature of the Chemical Bond. iv. the Energy of Single Bonds and the Relative Electronegativity of Atoms
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journal
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September 1932 |
Structural pseudoion form factors
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journal
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June 1977 |
Structural Stability of Suboctet Simple Binary Compounds
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journal
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May 1977 |
Structure and bonding in narrow gap semiconductors
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journal
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January 1983 |
Systematization of the stable crystal structure of all -type binary compounds: A pseudopotential orbital-radii approach
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journal
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December 1980 |
Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides
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journal
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October 2011 |
Electronic Charge Densities in Semiconductors: Electron density calculations give new insights into the origins of the properties of solids
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journal
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March 1973 |
Unified structural classification of AB2 molecules and solids from valence electron orbital radii
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journal
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January 1987 |
Quantum diagrams and the prediction of new materials
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journal
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June 1993 |
A map for phase-change materials
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journal
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November 2008 |
Data mining for materials: Computational experiments with compounds
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journal
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March 2012 |
Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids
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journal
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February 2014 |
Big Data of Materials Science: Critical Role of the Descriptor
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journal
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March 2015 |
Orbital Radii of Atoms and Ions
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journal
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June 1965 |
Influence of the electronic structure on the ductile behavior of B2 CsCl-type AB intermetallics
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journal
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November 2009 |
What is principal component analysis?
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journal
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March 2008 |
A family of ductile intermetallic compounds
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journal
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August 2003 |
Stability maps to predict anomalous ductility in B2 materials
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journal
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March 2013 |
Extreme Poisson's ratios and their electronic origin in B2 CsCl-type AB intermetallic compounds
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journal
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April 2012 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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journal
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July 2013 |
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
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journal
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June 2012 |
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
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journal
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May 2002 |
Identifying the ‘inorganic gene’ for high-temperature piezoelectric perovskites through statistical learning
- Balachandran, Prasanna V.; Broderick, Scott R.; Rajan, Krishna
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Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 467, Issue 2132
https://doi.org/10.1098/rspa.2010.0543
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journal
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February 2011 |
Crystal-Chemistry Guidelines for Noncentrosymmetric A 2 BO 4 Ruddlesden−Popper Oxides
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journal
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December 2013 |
Combinatorial screening for new materials in unconstrained composition space with machine learning
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journal
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March 2014 |
Dissolving the Periodic Table in Cubic Zirconia: Data Mining to Discover Chemical Trends
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journal
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March 2014 |
Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
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journal
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January 2015 |
What are decision trees?
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journal
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September 2008 |
What is a support vector machine?
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journal
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December 2006 |
The WEKA data mining software: an update
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journal
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November 2009 |
The Lack of A Priori Distinctions Between Learning Algorithms
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journal
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October 1996 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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journal
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April 2008 |
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
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journal
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April 1990 |
Special points for Brillouin-zone integrations
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journal
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June 1976 |
Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
Projector augmented-wave method
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journal
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December 1994 |
Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La–Lu)
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journal
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December 2014 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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journal
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January 1998 |
Efficient pseudopotentials for plane-wave calculations
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journal
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January 1991 |
FINDSYM : program for identifying the space-group symmetry of a crystal
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journal
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January 2005 |
VESTA : a three-dimensional visualization system for electronic and structural analysis
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journal
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May 2008 |
An interpretation of structural sorting diagrams for AB type compounds using molecular orbital ideas
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journal
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May 1982 |
Voltage- and time-dependent valence state transition in cobalt oxide catalysts during the oxygen evolution reaction
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journal
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April 2020 |
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
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journal
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February 2020 |
Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single and binary component solids
|
text
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January 2013 |
Big Data of Materials Science - Critical Role of the Descriptor
|
text
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January 2014 |
Materials Cartography: Representing and Mining Material Space Using Structural and Electronic Fingerprints
|
text
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January 2014 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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journal
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September 2009 |
Spectroscopic Analysis of Cohesive Energies and Heats of Formation of Tetrahedrally Coordinated Semiconductors
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journal
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September 1970 |
Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE=La-Lu)
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preprint
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January 2014 |