标题
Silicon Liquid Structure and Crystal Nucleation from
Ab Initio
Deep Metadynamics
作者
关键词
-
出版物
PHYSICAL REVIEW LETTERS
Volume 121, Issue 26, Pages -
出版商
American Physical Society (APS)
发表日期
2018-12-26
DOI
10.1103/physrevlett.121.265701
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
- (2018) Han Wang et al. COMPUTER PHYSICS COMMUNICATIONS
- Metadynamics for training neural network model chemistries: A competitive assessment
- (2018) John E. Herr et al. JOURNAL OF CHEMICAL PHYSICS
- Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics
- (2018) Volker L. Deringer et al. Journal of Physical Chemistry Letters
- Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics
- (2018) Linfeng Zhang et al. PHYSICAL REVIEW LETTERS
- Molecular dynamics simulations of liquid silica crystallization
- (2018) Haiyang Niu et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Analyzing and Driving Cluster Formation in Atomistic Simulations
- (2017) Gareth A. Tribello et al. Journal of Chemical Theory and Computation
- Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint
- (2016) Omar Valsson et al. Annual Review of Physical Chemistry
- Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations
- (2016) Gabriele C. Sosso et al. CHEMICAL REVIEWS
- Perspective: Machine learning potentials for atomistic simulations
- (2016) Jörg Behler JOURNAL OF CHEMICAL PHYSICS
- Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
- (2016) Jianwei Sun et al. Nature Chemistry
- Constructing high-dimensional neural network potentials: A tutorial review
- (2015) Jörg Behler INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Strongly Constrained and Appropriately Normed Semilocal Density Functional
- (2015) Jianwei Sun et al. PHYSICAL REVIEW LETTERS
- Metadynamics studies of crystal nucleation
- (2015) Federico Giberti et al. IUCrJ
- A Time-Independent Free Energy Estimator for Metadynamics
- (2014) Pratyush Tiwary et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Well-Tempered Metadynamics Converges Asymptotically
- (2014) James F. Dama et al. PHYSICAL REVIEW LETTERS
- PLUMED 2: New feathers for an old bird
- (2013) Gareth A. Tribello et al. COMPUTER PHYSICS COMMUNICATIONS
- cp2k: atomistic simulations of condensed matter systems
- (2013) Jürg Hutter et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Libxc: A library of exchange and correlation functionals for density functional theory
- (2012) Miguel A.L. Marques et al. COMPUTER PHYSICS COMMUNICATIONS
- Nucleation mechanism for the direct graphite-to-diamond phase transition
- (2011) Rustam Z. Khaliullin et al. NATURE MATERIALS
- Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
- (2010) Albert P. Bartók et al. PHYSICAL REVIEW LETTERS
- Nucleation of tetrahedral solids: A molecular dynamics study of supercooled liquid silicon
- (2009) Tianshu Li et al. JOURNAL OF CHEMICAL PHYSICS
- Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
- (2009) Alexander Stukowski MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential
- (2008) Jörg Behler et al. PHYSICAL REVIEW LETTERS
- Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
- (2008) Alessandro Barducci et al. PHYSICAL REVIEW LETTERS
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationPublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More