Gaussian approximation potentials for body-centered-cubic transition metals
Published 2020 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Gaussian approximation potentials for body-centered-cubic transition metals
Authors
Keywords
-
Journal
Physical Review Materials
Volume 4, Issue 9, Pages -
Publisher
American Physical Society (APS)
Online
2020-09-28
DOI
10.1103/physrevmaterials.4.093802
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Machine learning for interatomic potential models
- (2020) Tim Mueller et al. JOURNAL OF CHEMICAL PHYSICS
- Performance and Cost Assessment of Machine Learning Interatomic Potentials
- (2020) Yunxing Zuo et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Interatomic potentials of W–V and W–Mo binary systems for point defects studies
- (2020) Yangchun Chen et al. JOURNAL OF NUCLEAR MATERIALS
- On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events
- (2020) Jonathan Vandermause et al. npj Computational Materials
- Universality of point defect structure in body-centered cubic metals
- (2019) Pui-Wai Ma et al. PHYSICAL REVIEW MATERIALS
- Active learning of uniformly accurate interatomic potentials for materials simulation
- (2019) Linfeng Zhang et al. PHYSICAL REVIEW MATERIALS
- Symmetry-broken self-interstitial defects in chromium, molybdenum, and tungsten
- (2019) Pui-Wai Ma et al. PHYSICAL REVIEW MATERIALS
- Development of the interatomic potentials for W-Ta system
- (2019) Yangchun Chen et al. COMPUTATIONAL MATERIALS SCIENCE
- Effect of stress on vacancy formation and migration in body-centered-cubic metals
- (2019) Pui-Wai Ma et al. Physical Review Materials
- Machine Learning Interatomic Potentials as Emerging Tools for Materials Science
- (2019) Volker L. Deringer et al. ADVANCED MATERIALS
- Melting curve of vanadium up to 470 GPa simulated by ab initio molecular dynamics
- (2019) Tingting Zhang et al. JOURNAL OF APPLIED PHYSICS
- De novo exploration and self-guided learning of potential-energy surfaces
- (2019) Noam Bernstein et al. npj Computational Materials
- Dynamical stability of radiation-induced C15 clusters in iron
- (2019) J. Byggmästar et al. JOURNAL OF NUCLEAR MATERIALS
- SchNet – A deep learning architecture for molecules and materials
- (2018) K. T. Schütt et al. JOURNAL OF CHEMICAL PHYSICS
- Data-Driven Learning of Total and Local Energies in Elemental Boron
- (2018) Volker L. Deringer et al. PHYSICAL REVIEW LETTERS
- Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics
- (2018) Linfeng Zhang et al. PHYSICAL REVIEW LETTERS
- The atomic simulation environment—a Python library for working with atoms
- (2017) Ask Hjorth Larsen et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost
- (2017) J. S. Smith et al. Chemical Science
- Microstructures define melting of molybdenum at high pressures
- (2017) Rostislav Hrubiak et al. Nature Communications
- Accurate force field for molybdenum by machine learning large materials data
- (2017) Chi Chen et al. PHYSICAL REVIEW MATERIALS
- Perspective: Machine learning potentials for atomistic simulations
- (2016) Jörg Behler JOURNAL OF CHEMICAL PHYSICS
- Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials
- (2016) Alexander V. Shapeev MULTISCALE MODELING & SIMULATION
- Angular-dependent interatomic potential for the Cu–Ta system and its application to structural stability of nano-crystalline alloys
- (2015) G.P. Purja Pun et al. ACTA MATERIALIA
- Gaussian approximation potentials: A brief tutorial introduction
- (2015) Albert P. Bartók et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
- (2015) A.P. Thompson et al. JOURNAL OF COMPUTATIONAL PHYSICS
- X-ray diffraction of molybdenum under shock compression to 450 GPa
- (2015) Jue Wang et al. PHYSICAL REVIEW B
- First principles phonon calculations in materials science
- (2015) Atsushi Togo et al. SCRIPTA MATERIALIA
- Materials R&D for a timely DEMO: Key findings and recommendations of the EU Roadmap Materials Assessment Group
- (2014) Derek Stork et al. FUSION ENGINEERING AND DESIGN
- Many-body central force potentials for tungsten
- (2014) G Bonny et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Interatomic potentials for modelling radiation defects and dislocations in tungsten
- (2013) M-C Marinica et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Nanostructured high-strength molybdenum alloys with unprecedented tensile ductility
- (2013) G. Liu et al. NATURE MATERIALS
- Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations
- (2013) R. Ravelo et al. PHYSICAL REVIEW B
- On representing chemical environments
- (2013) Albert P. Bartók et al. PHYSICAL REVIEW B
- Recent progress in research on tungsten materials for nuclear fusion applications in Europe
- (2012) M. Rieth et al. JOURNAL OF NUCLEAR MATERIALS
- Polymorphism and melt in high-pressure tantalum
- (2012) Justin B. Haskins et al. PHYSICAL REVIEW B
- Constraints on the phase diagram of molybdenum from first-principles free-energy calculations
- (2012) C. Cazorla et al. PHYSICAL REVIEW B
- Ab initiobased empirical potential used to study the mechanical properties of molybdenum
- (2012) Hyoungki Park et al. PHYSICAL REVIEW B
- Irradiation-Induced Formation of Nanocrystallites withC15Laves Phase Structure in bcc Iron
- (2012) M.-C. Marinica et al. PHYSICAL REVIEW LETTERS
- Force-matched embedded-atom method potential for niobium
- (2010) Michael R. Fellinger et al. PHYSICAL REVIEW B
- High Melting Points of Tantalum in a Laser-Heated Diamond Anvil Cell
- (2010) Agnès Dewaele et al. PHYSICAL REVIEW LETTERS
- High-Pressure—High-Temperature Polymorphism in Ta: Resolving an Ongoing Experimental Controversy
- (2010) L. Burakovsky et al. PHYSICAL REVIEW LETTERS
- Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
- (2010) Albert P. Bartók et al. PHYSICAL REVIEW LETTERS
- Hugoniot temperatures and melting of tantalum under shock compression determined by optical pyrometry
- (2009) Chengda Dai et al. JOURNAL OF APPLIED PHYSICS
- Assessment of the relation between ion beam mixing, electron–phonon coupling and damage production in Fe
- (2009) C. Björkas et al. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
- Temperature in molybdenum at high shock pressure: Experiment and theory
- (2008) Xiu-lu Zhang et al. PHYSICA B-CONDENSED MATTER
- Lattice dynamics of vanadium: Inelastic x-ray scattering measurements
- (2008) Alexey Bosak et al. PHYSICAL REVIEW B
- Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase
- (2008) A. B. Belonoshko et al. PHYSICAL REVIEW LETTERS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish 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