A novel algorithm for characterization of order in materials
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August 2002 |
Thermodynamical and structural properties of f.c.c. transition metals using a simple tight-binding model
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February 1989 |
Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates
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October 2015 |
Atom sizes and bond lengths in molecules and crystals
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April 1991 |
Nouvelles applications des paramètres continus à la théorie des formes quadratiques. Premier mémoire. Sur quelques propriétés des formes quadratiques positives parfaites.
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January 1908 |
Die Plancksche Theorie der Strahlung und die Theorie der spezifischen Wärme
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January 1907 |
New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships
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April 2016 |
The inorganic crystal structure data base
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May 1983 |
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
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September 1976 |
Molecular dynamics study of melting and freezing of small Lennard-Jones clusters
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September 1987 |
Suppression of Jahn–Teller distortion of spinel LiMn2O4 cathode
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June 2009 |
Role of the crystal-field theory in determining the structures of spinels
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January 1982 |
Origin of dramatic oxygen solute strengthening effect in titanium
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February 2015 |
Effective coordination numbers (ECoN) and mean Active fictive ionic radii (MEFIR) [1,2] *
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January 1979 |
What factors determine cation coordination numbers?
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December 1988 |
Experimental evidence of tetrahedral interstitial and bond-centered Er in Ge
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October 2008 |
A general set of order parameters for molecular crystals
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February 2011 |
History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective
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May 2016 |
A definition of coordination and its relevance in the structure types AlB 2 and NiAs
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January 1977 |
Lattice location study of ion implanted Sn and Sn-related defects in Ge
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April 2010 |
Direct identification of interstitial Mn in heavily p-type doped GaAs and evidence of its high thermal stability
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May 2011 |
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
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May 2002 |
New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres
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October 1984 |
Coordination numbers as reaction coordinates in constrained molecular dynamics
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January 1998 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Solubility of NaCl in water by molecular simulation revisited
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June 2012 |
A Note on the Generation of Random Normal Deviates
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June 1958 |
N -body interatomic potentials for hexagonal close-packed metals
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March 1991 |
Zur Kenntnis des asymmetrischen Kobaltatoms. V
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January 1912 |
Transition Metal Impurities on the Bond-Centered Site in Germanium
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February 2009 |
Self-Consistent Equations Including Exchange and Correlation Effects
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November 1965 |
Different Ways of Hydrogen Bonding in Water - Why Does Warm Water Freeze Faster than Cold Water?
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December 2016 |
A versatile apparatus for on-line emission channeling experiments
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July 2013 |
Stability and diffusion of interstitial and substitutional Mn in GaAs of different doping types
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September 2012 |
Lattice location and thermal stability of implanted nickel in silicon studied by on-line emission channeling
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January 2014 |
Optimising reaction coordinates for crystallisation by tuning the crystallinity definition
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December 2013 |
Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures
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August 2015 |
Diluted manganese on the bond-centered site in germanium
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October 2010 |
Bond-orientational order in liquids and glasses
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July 1983 |
Criteria for Zeolite Frameworks Realizable for Target Synthesis
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January 2013 |
The thermodynamics of cation distributions in simple spinels
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November 1967 |
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
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April 2003 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
Inhomogeneous Electron Gas
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November 1964 |
Shortcomings of the bond orientational order parameters for the analysis of disordered particulate matter
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January 2013 |
Competing nucleation pathways in a mixture of oppositely charged colloids: Out-of-equilibrium nucleation revisited
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December 2009 |
Precise lattice location of substitutional and interstitial Mg in AlN
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December 2013 |
Local order in a supercooled colloidal fluid observed by confocal microscopy
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December 2002 |
Emission channeling and blocking
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March 1991 |
Reversible work transition state theory: application to dissociative adsorption of hydrogen
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February 1995 |
The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II
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June 2013 |
Robust FCC solute diffusion predictions from ab-initio machine learning methods
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June 2017 |
Lattice location study of implanted In in Ge
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April 2009 |
Numerical calculation of the rate of crystal nucleation in a Lennard‐Jones system at moderate undercooling
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June 1996 |
Atomistic calculations and materials informatics: A review
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June 2017 |
Grand Challenges in Computational Materials Science: From Description to Prediction at all Scales
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July 2014 |
Lattice position and thermal stability of diluted As in Ge
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March 2012 |
The NumPy Array: A Structure for Efficient Numerical Computation
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March 2011 |
Applications of local crystal structure measures in experiment and simulation
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February 2006 |
Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
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January 2015 |
Structural, electronic and optical properties of spinel MgAl 2 O 4 oxide
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December 2008 |
Theory-Guided Machine Learning in Materials Science
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June 2016 |
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
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February 2013 |
Criteria for Zeolite Frameworks Realizable for Target Synthesis
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January 2013 |
CASSPER is a semantic segmentation-based particle picking algorithm for single-particle cryo-electron microscopy
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February 2021 |
Shortcomings of the Bond Orientational Order Parameters for the Analysis of Disordered Particulate Matter
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text
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January 2012 |
The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water, Part II
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January 2013 |
Materials Cartography: Representing and Mining Material Space Using Structural and Electronic Fingerprints
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January 2014 |
Robust FCC solute diffusion predictions from ab-initio machine learning methods
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January 2017 |
Reversible Work Transiton State Theory: Application to Dissociative Adsorption of Hydrogen
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January 1994 |