标题
Automated calculation and convergence of defect transport tensors
作者
关键词
-
出版物
npj Computational Materials
Volume 6, Issue 1, Pages -
出版商
Springer Science and Business Media LLC
发表日期
2020-12-11
DOI
10.1038/s41524-020-00463-8
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Towards better efficiency of interatomic linear machine learning potentials
- (2019) Alexandra M. Goryaeva et al. COMPUTATIONAL MATERIALS SCIENCE
- Mobility of tungsten clusters on tungsten surfaces
- (2019) L. Yang et al. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
- The active sites of a working Fischer–Tropsch catalyst revealed by operando scanning tunnelling microscopy
- (2019) Bernhard Böller et al. Nature Catalysis
- On the existence and origin of sluggish diffusion in chemically disordered concentrated alloys
- (2018) Yuri N. Osetsky et al. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
- Unsupervised Calculation of Free Energy Barriers in Large Crystalline Systems
- (2018) Thomas D. Swinburne et al. PHYSICAL REVIEW LETTERS
- Self-optimized construction of transition rate matrices from accelerated atomistic simulations with Bayesian uncertainty quantification
- (2018) Thomas D. Swinburne et al. PHYSICAL REVIEW MATERIALS
- Variational Principle for Mass Transport
- (2018) Dallas R. Trinkle PHYSICAL REVIEW LETTERS
- A new class of enhanced kinetic sampling methods for building Markov state models
- (2017) Arti Bhoutekar et al. JOURNAL OF CHEMICAL PHYSICS
- Machine learning unifies the modeling of materials and molecules
- (2017) Albert P. Bartók et al. Science Advances
- Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials
- (2016) Alexander V. Shapeev MULTISCALE MODELING & SIMULATION
- Analysis of estimators for Adaptive Kinetic Monte Carlo
- (2016) David Aristoff et al. Communications in Applied Mathematics and Computational Science
- Fast, vacancy-free climb of prismatic dislocation loops in bcc metals
- (2016) Thomas D. Swinburne et al. Scientific Reports
- Uncertainty in a Markov state model with missing states and rates: Application to a room temperature kinetic model obtained using high temperature molecular dynamics
- (2015) Abhijit Chatterjee et al. JOURNAL OF CHEMICAL PHYSICS
- Long-Time Dynamics through Parallel Trajectory Splicing
- (2015) Danny Perez et al. Journal of Chemical Theory and Computation
- First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe
- (2015) L. Dezerald et al. PHYSICAL REVIEW B
- Molecular dynamics saddle search adaptive kinetic Monte Carlo
- (2014) Samuel T. Chill et al. JOURNAL OF CHEMICAL PHYSICS
- Practical graph isomorphism, II
- (2013) Brendan D. McKay et al. JOURNAL OF SYMBOLIC COMPUTATION
- Tungsten surface evolution by helium bubble nucleation, growth and rupture
- (2013) Faiza Sefta et al. NUCLEAR FUSION
- Interatomic potentials for simulation of He bubble formation in W
- (2012) N. Juslin et al. JOURNAL OF NUCLEAR MATERIALS
- Irradiation-Induced Formation of Nanocrystallites withC15Laves Phase Structure in bcc Iron
- (2012) M.-C. Marinica et al. PHYSICAL REVIEW LETTERS
- Kinetic activation-relaxation technique
- (2011) Laurent Karim Béland et al. PHYSICAL REVIEW E
- Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
- (2009) Alexander Stukowski MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Towards the computational design of solid catalysts
- (2009) J. K. Nørskov et al. Nature Chemistry
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