Image de couverture de livre

Equivariant Representation of Configuration-Dependent Friction Tensors in Langevin Heatbaths

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Sachs, Matthias, Stark, Wojciech G., Maurer, Reinhard J., Ortner, Christoph
Format:	Preprint
Publié:	2024
Sujets:	Materials Science
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory
par: Box, Connor L., et autres
Publié: (2024)

Nonadiabatic reactive scattering of hydrogen on different surface facets of copper
par: Stark, Wojciech G., et autres
Publié: (2025)

Machine Learning and Data-Driven Methods in Computational Surface and Interface Science
par: Hörmann, Lukas, et autres
Publié: (2025)

Fine-tuning foundation models of materials interatomic potentials with frozen transfer learning
par: Radova, Mariia, et autres
Publié: (2025)

Equivariant Electronic Hamiltonian Prediction with Many-Body Message Passing
par: Qian, Chen, et autres
Publié: (2025)

Vibrational Energy Dissipation in Non-Contact Single-Molecule Junctions Governed by Local Geometry and Electronic Structure
par: Hörmann, Lukas, et autres
Publié: (2025)

Equivariant Matrix Function Neural Networks
par: Batatia, Ilyes, et autres
Publié: (2023)

Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition
par: Chaudhuri, Shayantan, et autres
Publié: (2024)

Mode selectivity in electron promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces
par: Hertl, Nils, et autres
Publié: (2025)

Comprehensive Structure Exploration and Thermodynamics of Heteroatom Doped Graphene Superstructures
par: Saunders, Benedict, et autres
Publié: (2025)

First-principles Newns-Anderson Hamiltonian Construction for Chemisorbed Hydrogen at Metal Surfaces
par: Hertl, Nils, et autres
Publié: (2026)

Analysis of local structure of mechanical and thermal rearrangements in glasses with the atomic cluster expansion
par: Rottler, Joerg, et autres
Publié: (2024)

Equivariant Many-body Message Passing Interatomic Potentials for Magnetic Materials
par: Ho, Cheuk Hin, et autres
Publié: (2026)

Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals
par: Box, Connor L., et autres
Publié: (2025)

Scalable Dielectric Tensor Predictions for Inorganic Materials using Equivariant Graph Neural Networks
par: Hua, Haowei, et autres
Publié: (2026)

Machine learning intermolecular transfer integrals with compact atomic cluster representations
par: Keeratikarn, Keerati, et autres
Publié: (2025)

Equivariant Graph Neural Networks for Prediction of Tensor Material Properties of Crystals
par: Heilman, Alex, et autres
Publié: (2024)

E(n)-Equivariant Cartesian Tensor Passing Potential
par: Wang, Junjie, et autres
Publié: (2024)

E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products
par: Li, Yunyang, et autres
Publié: (2025)

Role of anisotropic electronic friction in laser-driven hydrogen recombination on copper
par: Spears, Alexander, et autres
Publié: (2026)

Polaronic Contributions to Friction in a Manganite Thin Film
par: Weber, Niklas A., et autres
Publié: (2020)

First-principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer
par: Meng, Gang, et autres
Publié: (2024)

Quantum Langevin Dynamics
par: Attrash, Mohammad, et autres
Publié: (2025)

Is Ultralow Friction on Graphite Sustainable in Contaminated Environments?
par: Gao, Hongyu, et autres
Publié: (2024)

A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
par: Yan, Keqiang, et autres
Publié: (2024)

Predicting Friction under Vastly Different Lubrication Scenarios
par: Li, Yulong, et autres
Publié: (2025)

A Haldane-Anderson Hamiltonian Model for Hyperthermal Hydrogen Scattering from a Semiconductor Surface
par: Lu, Xuexun, et autres
Publié: (2025)

Performance Benchmarking of Tensor Trains for accelerated Quantum-Inspired Homogenization on TPU, GPU and CPU architectures
par: Hauck, Sascha H., et autres
Publié: (2025)

Comprehensive Molecular Representation from Equivariant Transformer
par: Tao, Nianze, et autres
Publié: (2023)

On the Role of Interlayer Electrons on the Frictional Behavior of Two-Dimensional Electrides
par: Qi, Jingcheng, et autres
Publié: (2025)

A General, Automated Method for Building Structural Tensors of Arbitrary Order for Anisotropic Function Representations
par: Patel, Ravi G., et autres
Publié: (2025)

Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products
par: Luo, Shengjie, et autres
Publié: (2024)

Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations
par: Stishenko, Pavel, et autres
Publié: (2024)

Scale-Dependent Input Representation and Confidence Estimation for LLMs in Materials Property Prediction
par: Ozawa, Shuichiro, et autres
Publié: (2026)

An Atomic Cluster Expansion Potential for Twisted Multilayer Graphene
par: Wang, Yangshuai, et autres
Publié: (2025)

Extreme high lattice-misfit superalloys with regular cubic L12 particles and excellent creep resistance
par: Liang, Zhida, et autres
Publié: (2024)

Unifying Frictional Transients Reveals the Origin of Static Friction
par: Farain, Kasra, et autres
Publié: (2025)

Nanoscale mechanics and ultralow Friction of natural 2D silicates: Biotite and Rhodonite
par: Slathia, Surbhi, et autres
Publié: (2025)

Equivariant Neural Network Force Fields for Magnetic Materials
par: Yuan, Zilong, et autres
Publié: (2024)

Equivariant Space Group and Hamiltonian for Collinear Magnetic Systems
par: Cui, Chaoxi, et autres
Publié: (2026)