Erik Fransson

Chalmers tekniska högskola

Sweden

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Articles (25)

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2020

Collaborators (9)

Paul Erhart

Professor at Chalmers University of Technology

Chalmers University of Technology

SWEDEN

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Dominik Kubicki

University of Birmingham

UNITED KINGDOM

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Jesus Prado-Gonjal

Profesor Ayudante Doctor

Universidad Complutense de Madrid

SPAIN

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Yu Zhong

Assistant Professor

Cornell University

UNITED STATES

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Henrik Larsson

KTH Royal Institute of Technology

SWEDEN

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Cosme Milesi-Brault

Maître de conférences / Associate professor

CentraleSupélec

FRANCE

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Julia Wiktor

Chalmers tekniska högskola

SWEDEN

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Göran Wahnström

Professor

Chalmers University of Technology

SWEDEN

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Oscar Juan Dura

Associate Professor

University of Castilla-La Mancha

SPAIN

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Erik Fransson

Research Interests

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Articles (25)

Dynasor 2: From simulation to experiment through correlation functions

Untangling the Raman spectra of cubic and tetragonal BaZrO3

Revealing the Low-Temperature Phase of FAPbI3 Using a Machine-Learned Potential

Unraveling the Nature of Vibrational Dynamics in CsPbI3 by Inelastic Neutron Scattering and Molecular Dynamics Simulations

Correction to “Octahedral Tilt-Driven Phase Transitions in BaZrS3 Chalcogenide Perovskite”

Octahedral Tilt-Driven Phase Transitions in BaZrS3 Chalcogenide Perovskite

Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials

Predicting neutron experiments from first principles: a workflow powered by machine learning

Challenges Reconciling Theory and Experiments in the Prediction of Lattice Thermal Conductivity: The Case of Cu-Based Sulvanites

Impact of Organic Spacers and Dimensionality on Templating of Halide Perovskites

calorine: A Python package for constructing and sampling neuroevolution potential models

Understanding Correlations in BaZrO3: Structure and Dynamics on the Nanoscale

Construction and Sampling of Alloy Cluster Expansions—A Tutorial

Quantifying Dynamic Tilting in Halide Perovskites: Chemical Trends and Local Correlations

Anharmonicity of the antiferrodistortive soft mode in barium zirconate BaZrO3

Phase Transitions in Inorganic Halide Perovskites from Machine-Learned Potentials

Tuning the Through-Plane Lattice Thermal Conductivity in van der Waals Structures through Rotational (Dis)ordering

Revealing the Free Energy Landscape of Halide Perovskites: Metastability and Transition Characters in CsPbBr3 and MAPbI3

Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy

Extremely anisotropic van der Waals thermal conductors

First-principles modeling of complexions at the phase boundaries in Ti-doped WC-Co cemented carbides at finite temperatures

Complexions and grain growth retardation: First-principles modeling of phase boundaries in WC-Co cemented carbides at elevated temperatures

Modeling of vibrational and configurational degrees of freedom in hexagonal and cubic tungsten carbide at high temperatures

dynasor—A Tool for Extracting Dynamical Structure Factors and Current Correlation Functions from Molecular Dynamics Simulations

A computational study of the temperature dependence of interface and surface energies in WC–Co cemented carbides

Collaborators (9)

Paul Erhart

Dominik Kubicki

Jesus Prado-Gonjal

Yu Zhong

Henrik Larsson

Cosme Milesi-Brault

Julia Wiktor

Göran Wahnström

Oscar Juan Dura

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