Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores

Towards better efficiency of interatomic linear machine learning potentials

(2019) Alexandra M. Goryaeva et al.   COMPUTATIONAL MATERIALS SCIENCE

Unsupervised Calculation of Free Energy Barriers in Large Crystalline Systems

(2018) Thomas D. Swinburne et al.   PHYSICAL REVIEW LETTERS

Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron

(2018) Daniele Dragoni et al.   PHYSICAL REVIEW MATERIALS

Materials structure genealogy and high-throughput topological classification of surfaces and 2D materials

(2018) Lauri Himanen et al.   npj Computational Materials

Modeling the climb-assisted glide of edge dislocations through a random distribution of nanosized vacancy clusters

(2018) Marie Landeiro Dos Reis et al.   PHYSICAL REVIEW MATERIALS

Machine learning determination of atomic dynamics at grain boundaries

(2018) Tristan A. Sharp et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

(2018) Francesco Maresca et al.   npj Computational Materials

Probing the limits of metal plasticity with molecular dynamics simulations

(2017) Luis A. Zepeda-Ruiz et al.   NATURE

In situ stable crack growth at the micron scale

(2017) Giorgio Sernicola et al.   Nature Communications

A survey of anomaly detection techniques in financial domain

(2016) Mohiuddin Ahmed et al.   Future Generation Computer Systems-The International Journal of eScience

Robust structural identification via polyhedral template matching

(2016) Peter Mahler Larsen et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Anomaly-Based Weather Analysis versus Traditional Total-Field-Based Weather Analysis for Depicting Regional Heavy Rain Events

(2016) Weihong Qian et al.   WEATHER AND FORECASTING

Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

(2015) A.P. Thompson et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Low Speed Crack Propagation via Kink Formation and Advance on the Silicon (110) Cleavage Plane

(2015) James R. Kermode et al.   PHYSICAL REVIEW LETTERS

Molecular Dynamics with On-the-Fly Machine Learning of Quantum-Mechanical Forces

(2015) Zhenwei Li et al.   PHYSICAL REVIEW LETTERS

Big Data of Materials Science: Critical Role of the Descriptor

(2015) Luca M. Ghiringhelli et al.   PHYSICAL REVIEW LETTERS

Topological framework for local structure analysis in condensed matter

(2015) Emanuel A. Lazar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational Analysis Methods in Atomistic Modeling of Crystals

(2013) Alexander Stukowski   JOM

On representing chemical environments

(2013) Albert P. Bartók et al.   PHYSICAL REVIEW B

Outlier detection for patient monitoring and alerting

(2012) Milos Hauskrecht et al.   JOURNAL OF BIOMEDICAL INFORMATICS

Structure identification methods for atomistic simulations of crystalline materials

(2012) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Quantum effect on thermally activated glide of dislocations

(2012) Laurent Proville et al.   NATURE MATERIALS

Irradiation-Induced Formation of Nanocrystallites withC15Laves Phase Structure in bcc Iron

(2012) M.-C. Marinica et al.   PHYSICAL REVIEW LETTERS

Regression Models for Outlier Identification (Hurricanes and Typhoons) in Wave Hindcast Databases

(2011) R. Mínguez et al.   JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY

Atom-centered symmetry functions for constructing high-dimensional neural network potentials

(2011) Jörg Behler   JOURNAL OF CHEMICAL PHYSICS

The application of data mining techniques in financial fraud detection: A classification framework and an academic review of literature

(2010) E.W.T. Ngai et al.   DECISION SUPPORT SYSTEMS

Comparison of empirical interatomic potentials for iron applied to radiation damage studies

(2010) L. Malerba et al.   JOURNAL OF NUCLEAR MATERIALS

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

Kernel methods in machine learning

(2008) Thomas Hofmann et al.   ANNALS OF STATISTICS

Adaptive biasing force method for scalar and vector free energy calculations

(2008) Eric Darve et al.   JOURNAL OF CHEMICAL PHYSICS

Low-speed fracture instabilities in a brittle crystal

(2008) J. R. Kermode et al.   NATURE