4.8 Article

Big-deep-smart data in imaging for guiding materials design

Related references

Note: Only part of the references are listed.
Review Materials Science, Multidisciplinary

What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery

Edward O. Pyzer-Knapp et al.

ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 45 (2015)

Article Chemistry, Physical

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

Raghunathan Ramakrishnan et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Chemistry, Multidisciplinary

Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry - the Harvard Clean Energy Project

Johannes Hachmann et al.

ENERGY & ENVIRONMENTAL SCIENCE (2014)

Article Multidisciplinary Sciences

Microscopy: Hasten high resolution

Stephen J. Pennycook et al.

NATURE (2014)

Review Nanoscience & Nanotechnology

Advanced scanning probe lithography

Ricardo Garcia et al.

NATURE NANOTECHNOLOGY (2014)

Article Materials Science, Multidisciplinary

Modeling electronic quantum transport with machine learning

Alejandro Lopez-Bezanilla et al.

PHYSICAL REVIEW B (2014)

Article Physics, Multidisciplinary

Direct Observation of Dopant Atom Diffusion in a Bulk Semiconductor Crystal Enhanced by a Large Size Mismatch

Ryo Ishikawa et al.

PHYSICAL REVIEW LETTERS (2014)

Editorial Material Multidisciplinary Sciences

STATISTICS The future lies in uncertainty

D. J. Spiegelhalter

SCIENCE (2014)

Article Multidisciplinary Sciences

Picometre-precision analysis of scanning transmission electron microscopy images of platinum nanocatalysts

Andrew B. Yankovich et al.

NATURE COMMUNICATIONS (2014)

Article Multidisciplinary Sciences

Quantum chemistry structures and properties of 134 kilo molecules

Raghunathan Ramakrishnan et al.

SCIENTIFIC DATA (2014)

Article Chemistry, Multidisciplinary

Direct Probe of Interplay between Local Structure and Superconductivity in FeTe0.55Se0.45

Wenzhi Lin et al.

ACS NANO (2013)

Article Chemistry, Multidisciplinary

Oxygen Control of Atomic Structure and Physical Properties of SrRuO3 Surfaces

Alexander Tselev et al.

ACS NANO (2013)

Article Chemistry, Multidisciplinary

Edge-Edge Interactions in Stacked Graphene Nanoplatelets

Eduardo Cruz-Silva et al.

ACS NANO (2013)

Article Chemistry, Physical

Information-theoretic tools for parametrized coarse-graining of non-equilibrium extended systems

Markos A. Katsoulakis et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Review Chemistry, Physical

The high-throughput highway to computational materials design

Stefano Curtarolo et al.

NATURE MATERIALS (2013)

Article Physics, Multidisciplinary

Machine learning of molecular electronic properties in chemical compound space

Gregoire Montavon et al.

NEW JOURNAL OF PHYSICS (2013)

Article Multidisciplinary Sciences

Parameter Space Compression Underlies Emergent Theories and Predictive Models

Benjamin B. Machta et al.

SCIENCE (2013)

Article Multidisciplinary Sciences

Imaging Atomic Rearrangements in Two-Dimensional Silica Glass: Watching Silica's Dance

Pinshane Y. Huang et al.

SCIENCE (2013)

Article Nanoscience & Nanotechnology

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain et al.

APL MATERIALS (2013)

Review Chemistry, Multidisciplinary

Advanced Electron Microscopy for Advanced Materials

Gustaaf Van Tendeloo et al.

ADVANCED MATERIALS (2012)

Article Nanoscience & Nanotechnology

A single-atom transistor

Martin Fuechsle et al.

NATURE NANOTECHNOLOGY (2012)

Article Physics, Multidisciplinary

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Matthias Rupp et al.

PHYSICAL REVIEW LETTERS (2012)

Article Materials Science, Multidisciplinary

A high-throughput infrastructure for density functional theory calculations

Anubhav Jain et al.

COMPUTATIONAL MATERIALS SCIENCE (2011)

Article Computer Science, Hardware & Architecture

The International Exascale Software Project roadmap

Jack Dongarra et al.

INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS (2011)

Article Chemistry, Multidisciplinary

Spontaneous Vortex Nanodomain Arrays at Ferroelectric Heterointerfaces

Christopher T. Nelson et al.

NANO LETTERS (2011)

Article Multidisciplinary Sciences

Observation of Transient Structural-Transformation Dynamics in a Cu2S Nanorod

Haimei Zheng et al.

SCIENCE (2011)

Article Materials Science, Multidisciplinary

High-throughput electronic band structure calculations: Challenges and tools

Wahyu Setyawan et al.

COMPUTATIONAL MATERIALS SCIENCE (2010)

Article Physics, Multidisciplinary

Atomic-Scale Compensation Phenomena at Polar Interfaces

Matthew F. Chisholm et al.

PHYSICAL REVIEW LETTERS (2010)

Article Physics, Mathematical

A Stochastic Collocation Approach to Bayesian Inference in Inverse Problems

Youssef Marzouk et al.

COMMUNICATIONS IN COMPUTATIONAL PHYSICS (2009)

Article Multidisciplinary Sciences

Topological surface states protected from backscattering by chiral spin texture

Pedram Roushan et al.

NATURE (2009)

Article Multidisciplinary Sciences

Clickstream Data Yields High-Resolution Maps of Science

Johan Bollen et al.

PLOS ONE (2009)

Article Materials Science, Multidisciplinary

Structure and band gaps of Ga-(V) semiconductors: The challenge of Ga pseudopotentials

O. Anatole von Lilienfeld et al.

PHYSICAL REVIEW B (2008)

Article Computer Science, Interdisciplinary Applications

Stochastic spectral methods for efficient Bayesian solution of inverse problems

Youssef M. Marzouk et al.

JOURNAL OF COMPUTATIONAL PHYSICS (2007)

Article Chemistry, Multidisciplinary

Covalent 2D and 3D networks from 1D nanostructures: Designing new materials

J. M. Romo-Herrera et al.

NANO LETTERS (2007)

Article Chemistry, Physical

Predicting crystal structure by merging data mining with quantum mechanics

Christopher C. Fischer et al.

NATURE MATERIALS (2006)

Article Materials Science, Multidisciplinary

Polarization dynamics and formation of polar nanoregions in relaxor ferroelectrics

B. E. Vugmeister

PHYSICAL REVIEW B (2006)

Article Materials Science, Multidisciplinary

Self-interaction-corrected pseudopotentials for silicon carbide

Björn Baumeier et al.

PHYSICAL REVIEW B (2006)

Article Materials Science, Multidisciplinary

Review of crystal and domain structures in the PbZrxTi1-xO3 solid solution -: art. no. 104110

DI Woodward et al.

PHYSICAL REVIEW B (2005)

Review Multidisciplinary Sciences

Complexity in strongly correlated electronic systems

E Dagotto

SCIENCE (2005)

Review Physics, Applied

Revival of the magnetoelectric effect

M Fiebig

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2005)

Review Chemistry, Multidisciplinary

Factors governing oxygen reduction in solid oxide fuel cell cathodes

SB Adler

CHEMICAL REVIEWS (2004)

Article Chemistry, Physical

Origin of anomalous Pt-Pt distances in the Pt/alumina catalytic system

K Sohlberg et al.

CHEMPHYSCHEM (2004)

Article Physics, Multidisciplinary

Optimization of effective atom centered potentials for London dispersion forces in density functional theory

OA von Lilienfeld et al.

PHYSICAL REVIEW LETTERS (2004)

Article Radiology, Nuclear Medicine & Medical Imaging

Computer-assisted detection of mammographic masses: A template matching scheme based on mutual information

GD Tourassi et al.

MEDICAL PHYSICS (2003)

Article Biochemistry & Molecular Biology

High-resolution electron microscopy and electron tomography: resolution versus precision

S Van Aert et al.

JOURNAL OF STRUCTURAL BIOLOGY (2002)

Review Physics, Multidisciplinary

Colossal magnetoresistant materials: The key role of phase separation

E Dagotto et al.

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2001)