Handbook of Materials Modeling
Latest Publications

TOTAL DOCUMENTS

88

(FIVE YEARS 88)

H-INDEX

2

(FIVE YEARS 2)

Published By Springer International Publishing

9783319446769, 9783319446776

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Machine Learning of Atomic-Scale Properties Based on Physical Principles

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_68 ◽

2020 ◽

pp. 1911-1937 ◽

Author(s):

Michele Ceriotti ◽

Michael J. Willatt ◽

Gábor Csányi

Keyword(s):

Machine Learning ◽

Atomic Scale ◽

Scale Properties ◽

Physical Principles

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Polycrystal Plasticity Models Based on Green’s Functions: Mean-Field Self-Consistent and Full-Field Fast Fourier Transform Formulations

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_15 ◽

2020 ◽

pp. 1657-1683

Author(s):

Ricardo A. Lebensohn

Keyword(s):

Fourier Transform ◽

Fast Fourier Transform ◽

Green's Functions ◽

Green’S Functions ◽

Polycrystal Plasticity ◽

Self Consistent

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Shear Transformation Zone Dynamics Modeling of Deformation in Metallic Glasses

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_99 ◽

2020 ◽

pp. 1237-1263

Author(s):

Lin Li ◽

Eric R. Homer

Keyword(s):

Metallic Glasses ◽

Dynamics Modeling ◽

Transformation Zone ◽

Shear Transformation ◽

Shear Transformation Zone

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Mesoscale, Microstructure-Sensitive Modeling for Interface-Dominated, Nanostructured Materials

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_82 ◽

2020 ◽

pp. 1111-1152 ◽

Author(s):

Irene J. Beyerlein ◽

Marko Knezevic

Keyword(s):

Nanostructured Materials

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The PAULING FILE Project and Materials Platform for Data Science: From Big Data Toward Materials Genome

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_62 ◽

2020 ◽

pp. 1837-1861

Author(s):

Evgeny Blokhin ◽

Pierre Villars

Keyword(s):

Big Data ◽

Data Science ◽

Materials Genome

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Machine Learning and Big-Data in Computational Chemistry

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_59 ◽

2020 ◽

pp. 1939-1962

Author(s):

Rafael Gómez-Bombarelli ◽

Alán Aspuru-Guzik

Keyword(s):

Machine Learning ◽

Big Data ◽

Computational Chemistry

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Extending the Scale with Real-Space Methods for the Electronic Structure Problem

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_57 ◽

2020 ◽

pp. 499-522

Author(s):

James R. Chelikowsky

Keyword(s):

Electronic Structure ◽

Structure Problem

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Optimal Control Theory for Electronic Structure Methods

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_4 ◽

2020 ◽

pp. 469-489

Author(s):

Alberto Castro

Keyword(s):

Optimal Control ◽

Electronic Structure ◽

Control Theory ◽

Optimal Control Theory ◽

Electronic Structure Methods

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Top-Down Hybrid Models of Polymers

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_37 ◽

2020 ◽

pp. 1411-1430

Author(s):

Kostas Ch. Daoulas

Keyword(s):

Hybrid Models ◽

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Exploring Potential Energy Surfaces with Saddle Point Searches

Handbook of Materials Modeling ◽

10.1007/978-3-319-44677-6_28 ◽

2020 ◽

pp. 689-714

Author(s):

Vilhjálmur Ásgeirsson ◽

Hannes Jónsson

Keyword(s):

Potential Energy ◽

Saddle Point ◽

Potential Energy Surfaces ◽

Energy Surfaces

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