General-purpose machine-learned potential for 16 elemental metals and their alloys
Fuente:
arXiv
Guardado en:
| Autores principales: | Song, Keke, Zhao, Rui, Liu, Jiahui, Wang, Yanzhou, Lindgren, Eric, Wang, Yong, Chen, Shunda, Xu, Ke, Liang, Ting, Ying, Penghua, Xu, Nan, Zhao, Zhiqiang, Shi, Jiuyang, Wang, Junjie, Lyu, Shuang, Zeng, Zezhu, Liang, Shirong, Dong, Haikuan, Sun, Ligang, Chen, Yue, Zhang, Zhuhua, Guo, Wanlin, Qian, Ping, Sun, Jian, Erhart, Paul, Ala-Nissila, Tapio, Su, Yanjing, Fan, Zheyong |
|---|---|
| Formato: | Preprint |
| Publicado: |
2023
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements
por: Liang, Ting, et al.
Publicado: (2025)
por: Liang, Ting, et al.
Publicado: (2025)
Combining linear-scaling quantum transport and machine-learning molecular dynamics to study thermal and electronic transports in complex materials
por: Fan, Zheyong, et al.
Publicado: (2023)
por: Fan, Zheyong, et al.
Publicado: (2023)
Nine-element machine-learned interatomic potentials for multiphase refractory alloys
por: Byggmästar, Jesper, et al.
Publicado: (2026)
por: Byggmästar, Jesper, et al.
Publicado: (2026)
Molecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials
por: Dong, Haikuan, et al.
Publicado: (2024)
por: Dong, Haikuan, et al.
Publicado: (2024)
Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics
por: Wang, Yanzhou, et al.
Publicado: (2024)
por: Wang, Yanzhou, et al.
Publicado: (2024)
A general-purpose neural network potential for Ti-Al-Nb alloys towards large-scale molecular dynamics with ab initio accuracy
por: Zhao, Zhiqiang, et al.
Publicado: (2024)
por: Zhao, Zhiqiang, et al.
Publicado: (2024)
Advances in modeling complex materials: The rise of neuroevolution potentials
por: Ying, Penghua, et al.
Publicado: (2025)
por: Ying, Penghua, et al.
Publicado: (2025)
Anisotropic and isotropic elasticity and thermal transport in monolayer C$_{24}$ networks from machine-learning molecular dynamics
por: Li, Qing, et al.
Publicado: (2025)
por: Li, Qing, et al.
Publicado: (2025)
Solute segregation in polycrystalline aluminum from hybrid Monte Carlo and molecular dynamics simulations with a unified neuroevolution potential
por: Song, Keke, et al.
Publicado: (2024)
por: Song, Keke, et al.
Publicado: (2024)
NEP-MB-pol: A unified machine-learned framework for fast and accurate prediction of water's thermodynamic and transport properties
por: Xu, Ke, et al.
Publicado: (2024)
por: Xu, Ke, et al.
Publicado: (2024)
Interaction-Enabled Hartree Fixed Points in Fermionic Resetting Dynamics
por: Kumar, Jishad, et al.
Publicado: (2026)
por: Kumar, Jishad, et al.
Publicado: (2026)
Coherence-Controlled Quantum Zeno Dynamics from Exact Reset Maps
por: Kumar, Jishad, et al.
Publicado: (2026)
por: Kumar, Jishad, et al.
Publicado: (2026)
Thermodynamics of Coherence-Selective Quantum Reset Protocols
por: Kumar, Jishad, et al.
Publicado: (2026)
por: Kumar, Jishad, et al.
Publicado: (2026)
Thermal conductivities of monolayer graphene oxide from machine learning molecular dynamics simulations
por: Zhang, Bohan, et al.
Publicado: (2025)
por: Zhang, Bohan, et al.
Publicado: (2025)
Stabilisation of hBN/SiC Heterostructures with Vacancies and Transition-Metal Atoms
por: Hashemi, Arsalan, et al.
Publicado: (2025)
por: Hashemi, Arsalan, et al.
Publicado: (2025)
Revealing the impact of chemical short-range order on radiation damage in MoNbTaVW high-entropy alloys using a machine-learning potential
por: Liu, Jiahui, et al.
Publicado: (2025)
por: Liu, Jiahui, et al.
Publicado: (2025)
Density-dependent sodium-storage mechanisms in hard carbon materials
por: Front, Alexis, et al.
Publicado: (2025)
por: Front, Alexis, et al.
Publicado: (2025)
On-the-fly reparametrization of pairwise dispersion interactions for accurate and efficient molecular dynamics: Phase diagram of white phosphorus
por: Muhli, Heikki, et al.
Publicado: (2024)
por: Muhli, Heikki, et al.
Publicado: (2024)
Optimal quantum reservoir learning in proximity to universality
por: Ivaki, Moein N., et al.
Publicado: (2025)
por: Ivaki, Moein N., et al.
Publicado: (2025)
Atom-wise formulation of the many-body dispersion problem for linear-scaling van der Waals corrections
por: Muhli, Heikki, et al.
Publicado: (2024)
por: Muhli, Heikki, et al.
Publicado: (2024)
Quantum reservoir computing on random regular graphs
por: Ivaki, Moein N., et al.
Publicado: (2024)
por: Ivaki, Moein N., et al.
Publicado: (2024)
GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials
por: Ke Xu, et al.
Publicado: (2025)
por: Ke Xu, et al.
Publicado: (2025)
Driven Polymer Translocation through a Nanopore from a Confining Channel
por: Emamyari, Soheila, et al.
Publicado: (2025)
por: Emamyari, Soheila, et al.
Publicado: (2025)
Adsorption of polyelectrolytes in the presence of varying dielectric discontinuity between solution and substrate
por: Vahid, Hossein, et al.
Publicado: (2024)
por: Vahid, Hossein, et al.
Publicado: (2024)
Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials
por: Ying, Penghua, et al.
Publicado: (2024)
por: Ying, Penghua, et al.
Publicado: (2024)
Million-atom heat transport simulations of polycrystalline graphene approaching first-principles accuracy enabled by neuroevolution potential on desktop GPUs
por: Zhou, Xiaoye, et al.
Publicado: (2024)
por: Zhou, Xiaoye, et al.
Publicado: (2024)
Interface phonon modes governing the ideal limit of thermal transport across diamond/cubic boron nitride interfaces
por: Wang, Xiaonan, et al.
Publicado: (2025)
por: Wang, Xiaonan, et al.
Publicado: (2025)
Bilayer Borophenes Exhibit Silicon‐Like Bandgap and Carrier Mobilities
por: Ying Xu, et al.
Publicado: (2024)
por: Ying Xu, et al.
Publicado: (2024)
Boron Isotope Effects on Raman Scattering in Bulk BN, BP, and BAs: A Density-Functional Theory Study
por: Cherati, Nima Ghafari, et al.
Publicado: (2024)
por: Cherati, Nima Ghafari, et al.
Publicado: (2024)
Optimizing thermoelectric performance of graphene antidot lattices via quantum transport and machine-learning molecular dynamics simulations
por: Xiao, Yang, et al.
Publicado: (2025)
por: Xiao, Yang, et al.
Publicado: (2025)
A high-efficiency neuroevolution potential for tobermorite and calcium silicate hydrate systems with ab initio accuracy
por: Xu, Xiao, et al.
Publicado: (2025)
por: Xu, Xiao, et al.
Publicado: (2025)
Atomistic understanding of hydrogen bubble-induced embrittlement in tungsten enabled by machine learning molecular dynamics
por: Bao, Yu, et al.
Publicado: (2025)
por: Bao, Yu, et al.
Publicado: (2025)
Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics
por: Wu, Xiguang, et al.
Publicado: (2024)
por: Wu, Xiguang, et al.
Publicado: (2024)
Dissimilar thermal transport properties in $κ$-Ga$_2$O$_3$ and $β$-Ga$_2$O$_3$ revealed by machine-learning homogeneous nonequilibrium molecular dynamics simulations
por: Wang, Xiaonan, et al.
Publicado: (2023)
por: Wang, Xiaonan, et al.
Publicado: (2023)
Thermal transport of amorphous hafnia across the glass transition
por: Zeng, Zezhu, et al.
Publicado: (2025)
por: Zeng, Zezhu, et al.
Publicado: (2025)
qNEP: A highly efficient neuroevolution potential with dynamic charges for large-scale atomistic simulations
por: Fan, Zheyong, et al.
Publicado: (2026)
por: Fan, Zheyong, et al.
Publicado: (2026)
Accurate Modeling of Interfacial Thermal Transport in van der Waals Heterostructures via Hybrid Machine Learning and Registry-Dependent Potentials
por: Jiang, Wenwu, et al.
Publicado: (2025)
por: Jiang, Wenwu, et al.
Publicado: (2025)
Phonon coherence and minimum thermal conductivity in disordered superlattice
por: Wu, Xin, et al.
Publicado: (2024)
por: Wu, Xin, et al.
Publicado: (2024)
Helical Flow States in Active Nematics
por: Keogh, Ryan, et al.
Publicado: (2021)
por: Keogh, Ryan, et al.
Publicado: (2021)
Semiconductor-compatible topological digital alloys
por: Liang, Yunfan, et al.
Publicado: (2025)
por: Liang, Yunfan, et al.
Publicado: (2025)
Ejemplares similares
-
NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements
por: Liang, Ting, et al.
Publicado: (2025) -
Combining linear-scaling quantum transport and machine-learning molecular dynamics to study thermal and electronic transports in complex materials
por: Fan, Zheyong, et al.
Publicado: (2023) -
Nine-element machine-learned interatomic potentials for multiphase refractory alloys
por: Byggmästar, Jesper, et al.
Publicado: (2026) -
Molecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials
por: Dong, Haikuan, et al.
Publicado: (2024) -
Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics
por: Wang, Yanzhou, et al.
Publicado: (2024)