Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy

Advanced approach to the local structure reconstruction and theory validation on the example of the W L3-edge extended x-ray absorption fine structure of tungsten

(2018) Inga Jonane et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Machine Learning Topological Invariants with Neural Networks

(2018) Pengfei Zhang et al.   PHYSICAL REVIEW LETTERS

Predicting phase behavior of grain boundaries with evolutionary search and machine learning

(2018) Qiang Zhu et al.   Nature Communications

Determination of bimetallic architectures in nanometer-scale catalysts by combining molecular dynamics simulations with x-ray absorption spectroscopy

(2017) Janis Timoshenko et al.   JOURNAL OF CHEMICAL PHYSICS

Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles

(2017) Janis Timoshenko et al.   Journal of Physical Chemistry Letters

Microstructural Characterization of Solid State Reaction Phase Formed During Sintering of Hexagonal Boron Nitride with Iron

(2017) Kaline P. Furlan et al.   MICROSCOPY AND MICROANALYSIS

Molecular dynamics simulations of fcc-to-bcc transformation in pure iron: a review

(2016) X. Ou   MATERIALS SCIENCE AND TECHNOLOGY

The Use of X-ray Absorption Spectra for Validation of Classical Force-Field Models

(2016) Alexei Kuzmin et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Identification of carbon-encapsulated iron nanoparticles as active species in non-precious metal oxygen reduction catalysts

(2016) Jason A. Varnell et al.   Nature Communications

Probing local and electronic structure in Warm Dense Matter: single pulse synchrotron x-ray absorption spectroscopy on shocked Fe

(2016) Raffaella Torchio et al.   Scientific Reports

Melting of iron determined by X-ray absorption spectroscopy to 100 GPa

(2015) Giuliana Aquilanti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

EXAFS study of hydrogen intercalation into ReO3using the evolutionary algorithm

(2014) J Timoshenko et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Local structure in perovskite(Ba,Sr)TiO3: Reverse Monte Carlo refinements from multiple measurement techniques

(2014) Igor Levin et al.   PHYSICAL REVIEW B

EXAFS and XANES analysis of oxides at the nanoscale

(2014) Alexei Kuzmin et al.   IUCrJ

An in Situ Study of Bond Strains in 1 nm Pt Catalysts and Their Sensitivities to Cluster–Support and Cluster–Adsorbate Interactions

(2013) Anatoly I. Frenkel et al.   Journal of Physical Chemistry C

Local atomic structure deviation from average structure of Na0.5Bi0.5TiO3: Combined x-ray and neutron total scattering study

(2013) Elena Aksel et al.   PHYSICAL REVIEW B

Solid Iron Compressed Up to 560 GPa

(2013) Y. Ping et al.   PHYSICAL REVIEW LETTERS

Applications of extended X-ray absorption fine-structure spectroscopy to studies of bimetallic nanoparticle catalysts

(2012) Anatoly I. Frenkel   CHEMICAL SOCIETY REVIEWS

In Situ Studies of Chemistry and Structure of Materials in Reactive Environments

(2011) F. Tao et al.   SCIENCE

Effect of magnetic state on theγ−αtransition in iron: First-principles calculations of the Bain transformation path

(2009) S. V. Okatov et al.   PHYSICAL REVIEW B

Wavelet data analysis of EXAFS spectra

(2008) J. Timoshenko et al.   COMPUTER PHYSICS COMMUNICATIONS

A molecular dynamics study of the phase transition in bcc metal nanoparticles

(2008) Yasushi Shibuta et al.   JOURNAL OF CHEMICAL PHYSICS

Segregation, core alloying, and shape transitions in bimetallic nanoclusters: Monte Carlo simulations

(2008) F. Calvo et al.   PHYSICAL REVIEW B

Isotopic Effect In Extended X-Ray-Absorption Fine Structure of Germanium

(2008) J. Purans et al.   PHYSICAL REVIEW LETTERS

On the role of surface energy and surface stress in phase-transforming nanoparticles

(2007) F.D. Fischer et al.   PROGRESS IN MATERIALS SCIENCE