Efficient local atomic cluster expansion for BaTiO$_3$ close to equilibrium
Fuente:
arXiv
Saved in:
| Main Authors: | Grünebohm, Anna, Mrovec, Matous, Popov, Maxim N., Hsu, Lan-Tien, Lysogorskiy, Yury, Bochkarev, Anton, Drautz, Ralf |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Graph atomic cluster expansion for foundational machine learning interatomic potentials
by: Lysogorskiy, Yury, et al.
Published: (2025)
by: Lysogorskiy, Yury, et al.
Published: (2025)
Graph Atomic Cluster Expansion for semilocal interactions beyond equivariant message passing
by: Bochkarev, Anton, et al.
Published: (2023)
by: Bochkarev, Anton, et al.
Published: (2023)
Fast contracted Clebsch--Gordan tensor products for equivariant graph neural networks
by: Bochkarev, Anton, et al.
Published: (2026)
by: Bochkarev, Anton, et al.
Published: (2026)
Electric field direction dependence of the electrocaloric effect in BaTiO3
by: Hsu, Lan-Tien, et al.
Published: (2024)
by: Hsu, Lan-Tien, et al.
Published: (2024)
Charge-constrained Atomic Cluster Expansion
by: Rinaldi, Matteo, et al.
Published: (2024)
by: Rinaldi, Matteo, et al.
Published: (2024)
Exploring the extremes: atomic basis for multi-elemental materials science under complex thermodynamic conditions
by: Bochkarev, Anton, et al.
Published: (2026)
by: Bochkarev, Anton, et al.
Published: (2026)
Development of an Atomic Cluster Expansion potential for iron and its oxides
by: Bienvenu, Baptiste, et al.
Published: (2024)
by: Bienvenu, Baptiste, et al.
Published: (2024)
Ferroelectric switching at edge dislocations in BaTiO$_3$ modelled at the atomic scale
by: Wijekoon, Himal, et al.
Published: (2026)
by: Wijekoon, Himal, et al.
Published: (2026)
Efficient parameterization of transferable Atomic Cluster Expansion for water
by: Ibrahim, Eslam, et al.
Published: (2024)
by: Ibrahim, Eslam, et al.
Published: (2024)
Nanoindentation simulations for copper and tungsten with adaptive-precision potentials
by: Immel, David, et al.
Published: (2025)
by: Immel, David, et al.
Published: (2025)
Core structure of dislocations in ordered ferromagnetic FeCo
by: Egorov, Aleksei, et al.
Published: (2024)
by: Egorov, Aleksei, et al.
Published: (2024)
BaTiO$_3$ -- SrTiO$_3$ composites: a microscopic study on paraelectric cubic inclusions
by: Teng, Sheng-Han, et al.
Published: (2025)
by: Teng, Sheng-Han, et al.
Published: (2025)
Water Phase Diagram from a General-Purpose Atomic Cluster Expansion Potential
by: Ibrahim, Eslam, et al.
Published: (2026)
by: Ibrahim, Eslam, et al.
Published: (2026)
Competing phases and domain structures of ferroelectric perovskites: the benefit of epitaxial (110) growth
by: Hsu, Lan-Tien, et al.
Published: (2026)
by: Hsu, Lan-Tien, et al.
Published: (2026)
Point defect design in (Ba,Sr)TiO$_3$ -- an insight on agglomeration
by: Teng, Sheng-Han, et al.
Published: (2024)
by: Teng, Sheng-Han, et al.
Published: (2024)
From electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyiron
by: Menon, Sarath, et al.
Published: (2024)
by: Menon, Sarath, et al.
Published: (2024)
Ab Initio‐Based Study on Atomic Ordering in (Ba, Sr) TiO3
by: Aris Dimou, et al.
Published: (2024)
by: Aris Dimou, et al.
Published: (2024)
Hydrogen uptake and hydride formation in Al$_x$CoCrFeNi high-entropy alloys: First-principles, universal-potential, and experimental study
by: Körmann, Fritz, et al.
Published: (2026)
by: Körmann, Fritz, et al.
Published: (2026)
Theory of central peak and acoustic anomaly in cubic BaTiO3 close to ferroelectric transition
by: Onuki, Akira
Published: (2026)
by: Onuki, Akira
Published: (2026)
AI-Driven Expansion and Application of the Alexandria Database
by: Cavignac, Théo, et al.
Published: (2025)
by: Cavignac, Théo, et al.
Published: (2025)
Ultrafast decoupling of polarization and strain in ferroelectric BaTiO$_3$
by: Hoang, Le Phuong, et al.
Published: (2025)
by: Hoang, Le Phuong, et al.
Published: (2025)
Data-efficient machine-learning of complex Fe-Mo intermetallics using domain knowledge of chemistry and crystallography
by: Forti, Mariano, et al.
Published: (2025)
by: Forti, Mariano, et al.
Published: (2025)
Interplay between Ferroelectricity and Metallicity in BaTiO$_3$
by: Michel, Veronica F., et al.
Published: (2021)
by: Michel, Veronica F., et al.
Published: (2021)
Optical Control of the Thermal Conductivity in BaTiO 3
by: Claudio Cazorla, et al.
Published: (2025)
by: Claudio Cazorla, et al.
Published: (2025)
Asymmetry of the Ferroelectric Phase Transition in BaTiO 3
by: Asaf Hershkovitz, et al.
Published: (2025)
by: Asaf Hershkovitz, et al.
Published: (2025)
Effect of Stoichiometry on the Structure and Polarization of BaTiO3
by: Ashley E. Cavanagh, et al.
Published: (2025)
by: Ashley E. Cavanagh, et al.
Published: (2025)
Mixed Perovskite Phases of BaTiO3/BaTi5O11 for Efficient Electrochemical Reduction of CO2 to CO
by: Phiralang Marbaniang, et al.
Published: (2024)
by: Phiralang Marbaniang, et al.
Published: (2024)
BaTiO 3 ‐Based Materials for Electrocatalytic Water Splitting
by: Binod Raj KC, et al.
Published: (2026)
by: Binod Raj KC, et al.
Published: (2026)
Subsurface State Bilayer in Tetragonal Ferroelectric BaTiO3
by: Junhao Chen, et al.
Published: (2025)
by: Junhao Chen, et al.
Published: (2025)
Microstructural properties of BaTiO3 ceramics and thin films
by: Fundora Cruz A. et al
Published: (2000)
by: Fundora Cruz A. et al
Published: (2000)
Coupling between small polarons and ferroelectricity in BaTiO3
by: Joseph, Darin, et al.
Published: (2025)
by: Joseph, Darin, et al.
Published: (2025)
Ferroelectricity in Single‐Crystalline BaTiO 3 Nanodisks on Silicon
by: Ibukun Olaniyan, et al.
Published: (2025)
by: Ibukun Olaniyan, et al.
Published: (2025)
Inverse Melting of Polar Order in Chemically Substituted BaTiO3
by: Zhang, Yang, et al.
Published: (2024)
by: Zhang, Yang, et al.
Published: (2024)
Real Space Visualization of Order-Disorder Transition in BaTiO3
by: Zhang, Yang, et al.
Published: (2025)
by: Zhang, Yang, et al.
Published: (2025)
Dislocation Density‐Mediated Functionality in Single‐Crystal BaTiO3
by: Fangping Zhuo, et al.
Published: (2024)
by: Fangping Zhuo, et al.
Published: (2024)
Enhanced Piezoelectric and Ferroelectric Properties of Ion‐Doped BaTiO 3
by: Angel T. Apostolov, et al.
Published: (2025)
by: Angel T. Apostolov, et al.
Published: (2025)
Influence of pressure on the kinetics of ferroelectric phase transition in BaTiO3
by: Mazur, Olga, et al.
Published: (2024)
by: Mazur, Olga, et al.
Published: (2024)
Investigation of Interlayer Dielectric in BaTiO3/III‐Nitride Transistors
by: Hyunsoo Lee, et al.
Published: (2024)
by: Hyunsoo Lee, et al.
Published: (2024)
BaTiO3 OBTENIDO POR EL MÉTODO DE COPRECIPITACIÓN
by: CLAUDIA FERNÁNDEZ PERDOMO
Published: (2008)
by: CLAUDIA FERNÁNDEZ PERDOMO
Published: (2008)
Síntesis de BaTiO3 cúbico por rutas químicas
by: Claudia Patricia Fernández Perdomo
Published: (2010)
by: Claudia Patricia Fernández Perdomo
Published: (2010)
Similar Items
-
Graph atomic cluster expansion for foundational machine learning interatomic potentials
by: Lysogorskiy, Yury, et al.
Published: (2025) -
Graph Atomic Cluster Expansion for semilocal interactions beyond equivariant message passing
by: Bochkarev, Anton, et al.
Published: (2023) -
Fast contracted Clebsch--Gordan tensor products for equivariant graph neural networks
by: Bochkarev, Anton, et al.
Published: (2026) -
Electric field direction dependence of the electrocaloric effect in BaTiO3
by: Hsu, Lan-Tien, et al.
Published: (2024) -
Charge-constrained Atomic Cluster Expansion
by: Rinaldi, Matteo, et al.
Published: (2024)