- Home
- Publications
- Publication Search
- Publication Details
Title
Roadmap on multiscale materials modeling
Authors
Keywords
-
Journal
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
Volume 28, Issue 4, Pages 043001
Publisher
IOP Publishing
Online
2020-03-23
DOI
10.1088/1361-651x/ab7150
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Ab initio thermodynamics of liquid and solid water
- (2019) Bingqing Cheng et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Computationally efficient design of directionally compliant metamaterials
- (2019) Lucas A. Shaw et al. Nature Communications
- Online Tools for Uncertainty Quantification in nanoHUB
- (2019) Saaketh Desai et al. JOM
- Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning
- (2019) Justin S. Smith et al. Nature Communications
- Machine Learning-Based Classification of Dislocation Microstructures
- (2019) Dominik Steinberger et al. Frontiers in Materials
- Magnetoactive Acoustic Metamaterials
- (2018) Kunhao Yu et al. ADVANCED MATERIALS
- Global Sensitivity Analysis and Estimation of Model Error, Toward Uncertainty Quantification in Scramjet Computations
- (2018) Xun Huan et al. AIAA JOURNAL
- Computation of virtual X-ray diffraction patterns from discrete dislocation structures
- (2018) Nicolas Bertin et al. COMPUTATIONAL MATERIALS SCIENCE
- Matminer: An open source toolkit for materials data mining
- (2018) Logan Ward et al. COMPUTATIONAL MATERIALS SCIENCE
- Evolution of a Materials Data Infrastructure
- (2018) James A. Warren et al. JOM
- Perspective: Acoustic metamaterials in transition
- (2018) Ying Wu et al. JOURNAL OF APPLIED PHYSICS
- Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry
- (2018) Matthias Rupp et al. JOURNAL OF CHEMICAL PHYSICS
- Solid harmonic wavelet scattering for predictions of molecule properties
- (2018) Michael Eickenberg et al. JOURNAL OF CHEMICAL PHYSICS
- A GPU-Accelerated Parameter Interpolation Thermodynamic Integration Free Energy Method
- (2018) Timothy J. Giese et al. Journal of Chemical Theory and Computation
- Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics
- (2018) J. Tranchida et al. JOURNAL OF COMPUTATIONAL PHYSICS
- Deep convolutional neural networks for estimating porous material parameters with ultrasound tomography
- (2018) Timo Lähivaara et al. JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA
- A general multiscale framework for the emergent effective elastodynamics of metamaterials
- (2018) A. Sridhar et al. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
- Growth Mechanism and Origin of High sp3 Content in Tetrahedral Amorphous Carbon
- (2018) Miguel A. Caro et al. PHYSICAL REVIEW LETTERS
- Numerical Benchmark of Phase-Field Simulations with Elastic Strains: Precipitation in the Presence of Chemo-Mechanical Coupling
- (2018) Reza Darvishi Kamachali et al. COMPUTATIONAL MATERIALS SCIENCE
- GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
- (2018) Tai-Sung Lee et al. Journal of Chemical Information and Modeling
- Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential
- (2018) Felix C. Mocanu et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Micromorphic computational homogenization for mechanical metamaterials with patterning fluctuation fields
- (2018) O. Rokoš et al. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
- Dislocation Networks and the Microstructural Origin of Strain Hardening
- (2018) Ryan B. Sills et al. PHYSICAL REVIEW LETTERS
- Progress in modelling solidification microstructures in metals and alloys: dendrites and cells from 1700 to 2000
- (2018) Wilfried Kurz et al. INTERNATIONAL MATERIALS REVIEWS
- Deformation and flow of amorphous solids: Insights from elastoplastic models
- (2018) Alexandre Nicolas et al. REVIEWS OF MODERN PHYSICS
- Machine Learning a General-Purpose Interatomic Potential for Silicon
- (2018) Albert P. Bartók et al. Physical Review X
- A Convolutional Neural Network for Fault Classification and Diagnosis in Semiconductor Manufacturing Processes
- (2017) Ki Bum Lee et al. IEEE TRANSACTIONS ON SEMICONDUCTOR MANUFACTURING
- Homogenization-based topology optimization for high-resolution manufacturable microstructures
- (2017) Jeroen P. Groen et al. INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING
- Special Issue: Predictive multiscale materials modeling
- (2017) M.A. Katsoulakis et al. JOURNAL OF COMPUTATIONAL PHYSICS
- Polynomial chaos representation of databases on manifolds
- (2017) C. Soize et al. JOURNAL OF COMPUTATIONAL PHYSICS
- A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials
- (2017) Karel Matouš et al. JOURNAL OF COMPUTATIONAL PHYSICS
- Bayesian Calibration and Uncertainty Quantification for a Physics-Based Precipitation Model of Nickel–Titanium Shape-Memory Alloys
- (2017) Gustavo Tapia et al. JOURNAL OF MANUFACTURING SCIENCE AND ENGINEERING-TRANSACTIONS OF THE ASME
- Upscaling Uncertainty with Dynamic Discrepancy for a Multi-Scale Carbon Capture System
- (2017) K. Sham Bhat et al. JOURNAL OF THE AMERICAN STATISTICAL ASSOCIATION
- Variational coarse-graining procedure for dynamic homogenization
- (2017) Chenchen Liu et al. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
- Benchmarking, validation and reproducibility of concurrent multiscale methods are still needed
- (2017) Ellad B Tadmor et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Probing the limits of metal plasticity with molecular dynamics simulations
- (2017) Luis A. Zepeda-Ruiz et al. NATURE
- Accelerated quasicontinuum: a practical perspective on hyper-QC with application to nanoindentation
- (2017) W. K. Kim et al. PHILOSOPHICAL MAGAZINE
- Structural composites for multifunctional applications: Current challenges and future trends
- (2017) C. González et al. PROGRESS IN MATERIALS SCIENCE
- Three-dimensional mechanical metamaterials with a twist
- (2017) Tobias Frenzel et al. SCIENCE
- Flexible mechanical metamaterials
- (2017) Katia Bertoldi et al. Nature Reviews Materials
- Intrinsic Resistance Switching in Amorphous Silicon Suboxides: The Role of Columnar Microstructure
- (2017) M. S. Munde et al. Scientific Reports
- Deformation of metallic glasses: Recent developments in theory, simulations, and experiments
- (2016) Todd C. Hufnagel et al. ACTA MATERIALIA
- A Manifold Learning Approach to Data-Driven Computational Elasticity and Inelasticity
- (2016) Rubén Ibañez et al. ARCHIVES OF COMPUTATIONAL METHODS IN ENGINEERING
- AiiDA: automated interactive infrastructure and database for computational science
- (2016) Giovanni Pizzi et al. COMPUTATIONAL MATERIALS SCIENCE
- The Materials Data Facility: Data Services to Advance Materials Science Research
- (2016) B. Blaiszik et al. JOM
- Data-driven probability concentration and sampling on manifold
- (2016) C. Soize et al. JOURNAL OF COMPUTATIONAL PHYSICS
- Viscoplastic flow rule for dislocation-mediated plasticity from systematic coarse-graining
- (2016) M. Kooiman et al. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
- Effect of microstructure on strain localization in a 7050 aluminum alloy: Comparison of experiments and modeling for various textures
- (2016) Alberto W. Mello et al. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
- Dynamic behavior of nano-voids in magnesium under hydrostatic tensile stress
- (2016) Mauricio Ponga et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Reproducibility in density functional theory calculations of solids
- (2016) K. Lejaeghere et al. SCIENCE
- Programmable mechanical metamaterials: the role of geometry
- (2016) Bastiaan Florijn et al. Soft Matter
- Atomistically Informed Extended Gibbs Energy Description for Phase-Field Simulation of Tempering of Martensitic Steel
- (2016) Oleg Shchyglo et al. Materials
- Microstructure Design of Tempered Martensite by Atomistically Informed Full-Field Simulation: From Quenching to Fracture
- (2016) Efim Borukhovich et al. Materials
- Controlling sound with acoustic metamaterials
- (2016) Steven A. Cummer et al. Nature Reviews Materials
- Structural transformations among austenite, ferrite and cementite in Fe–C alloys: A unified theory based on ab initio simulations
- (2015) Xie Zhang et al. ACTA MATERIALIA
- Materials Data Science: Current Status and Future Outlook
- (2015) Surya R. Kalidindi et al. Annual Review of Materials Research
- Modelling evidence of stress concentration mitigation at the micro-scale in polymer composites by the addition of carbon nanotubes
- (2015) Valentin S. Romanov et al. CARBON
- The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles
- (2015) Shyue Ping Ong et al. COMPUTATIONAL MATERIALS SCIENCE
- Predicting laser weld reliability with stochastic reduced-order models
- (2015) John M. Emery et al. INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING
- Assessment of crystal plasticity finite element simulations of the hot deformation of metals from local strain and orientation measurements
- (2015) C. Pinna et al. INTERNATIONAL JOURNAL OF PLASTICITY
- Heterogeneous Crystallization of the Phase Change Material GeTe via Atomistic Simulations
- (2015) Gabriele C. Sosso et al. Journal of Physical Chemistry C
- Overview of the current issues in austenite to ferrite transformation and the role of migrating interfaces therein for low alloyed steels
- (2015) M. Gouné et al. MATERIALS SCIENCE & ENGINEERING R-REPORTS
- Finite-temperature non-equilibrium quasi-continuum analysis of nanovoid growth in copper at low and high strain rates
- (2015) M. Ponga et al. MECHANICS OF MATERIALS
- An atomistic simulation study of the crystallographic orientation relationships during the austenite to ferrite transformation in pure Fe
- (2015) H Song et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Concurrent atomistic–continuum simulation of polycrystalline strontium titanate
- (2015) Shengfeng Yang et al. PHILOSOPHICAL MAGAZINE
- Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network
- (2015) S. Alireza Ghasemi et al. PHYSICAL REVIEW B
- Identifying Structural Flow Defects in Disordered Solids Using Machine-Learning Methods
- (2015) E. D. Cubuk et al. PHYSICAL REVIEW LETTERS
- Learning about physical parameters: the importance of model discrepancy
- (2014) Jenný Brynjarsdóttir et al. INVERSE PROBLEMS
- Ab Initio Thermodynamic Modeling of Electrified Metal–Oxide Interfaces: Consistent Treatment of Electronic and Ionic Chemical Potentials
- (2014) Zhenhua Zeng et al. Journal of Physical Chemistry C
- Atomistic long-term simulation of heat and mass transport
- (2014) G. Venturini et al. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
- A framework for multi-scale modelling
- (2014) B. Chopard et al. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
- Multiscale modelling and simulation: a position paper
- (2014) A. Hoekstra et al. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
- Polycrystal Plasticity: Comparison Between Grain - Scale Observations of Deformation and Simulations
- (2014) Reeju Pokharel et al. Annual Review of Condensed Matter Physics
- Phase-Field Model for Microstructure Evolution at the Mesoscopic Scale
- (2013) Ingo Steinbach Annual Review of Materials Research
- Uncertainty Quantification in Multiscale Simulation of Materials: A Prospective
- (2013) Aleksandr Chernatynskiy et al. Annual Review of Materials Research
- 3D modelling of ceramic composites and simulation of their electrical, thermal and elastic properties
- (2013) T.M. Müller et al. COMPUTATIONAL MATERIALS SCIENCE
- NSF cyberinfrastructures: A new paradigm for advancing materials simulation
- (2013) Ellad B. Tadmor et al. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
- Uncertainty quantification in MD simulations of concentration driven ionic flow through a silica nanopore. II. Uncertain potential parameters
- (2013) F. Rizzi et al. JOURNAL OF CHEMICAL PHYSICS
- Simulation of Impedance Spectra for a Full Three-Dimensional Ceramic Microstructure Using a Finite Element Model
- (2013) Julian S. Dean et al. JOURNAL OF THE AMERICAN CERAMIC SOCIETY
- Transient computational homogenization for heterogeneous materials under dynamic excitation
- (2013) K. Pham et al. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
- Hyper-QC: An accelerated finite-temperature quasicontinuum method using hyperdynamics
- (2013) W.K. Kim et al. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
- Temperature-dependent effective third-order interatomic force constants from first principles
- (2013) Olle Hellman et al. PHYSICAL REVIEW B
- Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
- (2013) Anubhav Jain et al. APL Materials
- Fundamental issues in the representation and propagation of uncertain equation of state information in shock hydrodynamics
- (2012) A.C. Robinson et al. COMPUTERS & FLUIDS
- Bayesian uncertainty quantification and propagation in molecular dynamics simulations: A high performance computing framework
- (2012) Panagiotis Angelikopoulos et al. JOURNAL OF CHEMICAL PHYSICS
- Challenges in Ceramic Science: A Report from the Workshop on Emerging Research Areas in Ceramic Science
- (2012) Gregory S. Rohrer et al. JOURNAL OF THE AMERICAN CERAMIC SOCIETY
- Multiscale Modeling of Composite Materials: a Roadmap Towards Virtual Testing
- (2011) J. LLorca et al. ADVANCED MATERIALS
- A Short Review on Model Order Reduction Based on Proper Generalized Decomposition
- (2011) Francisco Chinesta et al. ARCHIVES OF COMPUTATIONAL METHODS IN ENGINEERING
- The potential of atomistic simulations and the knowledgebase of interatomic models
- (2011) E. B. Tadmor et al. JOM
- A multiscale strength model for extreme loading conditions
- (2011) N. R. Barton et al. JOURNAL OF APPLIED PHYSICS
- An overview of the proper generalized decomposition with applications in computational rheology
- (2011) F. Chinesta et al. JOURNAL OF NON-NEWTONIAN FLUID MECHANICS
- Modeling the mechanics of amorphous solids at different length scale and time scale
- (2011) D Rodney et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Uncertainty propagation in a multiscale model of nanocrystalline plasticity
- (2011) M. Koslowski et al. RELIABILITY ENGINEERING & SYSTEM SAFETY
- Deformation and Failure of Amorphous, Solidlike Materials
- (2011) Michael L. Falk et al. Annual Review of Condensed Matter Physics
- Coupled thermal–electrical analysis for carbon fiber/epoxy composites exposed to simulated lightning current
- (2010) Toshio Ogasawara et al. COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING
- Numerical investigation of mechanisms affecting the piezoresistive properties of CNT-doped polymers using multi-scale models
- (2010) T.C. Theodosiou et al. COMPOSITES SCIENCE AND TECHNOLOGY
- Modelling Microstructures with OOF2
- (2010) Andrew C.E. Reid et al. INTERNATIONAL JOURNAL OF MATERIALS & PRODUCT TECHNOLOGY
- Phononic crystals and acoustic metamaterials
- (2010) Ming-Hui Lu et al. Materials Today
- Electronic and atomic structure of metal-HfO2interfaces
- (2010) K. Y. Tse et al. PHYSICAL REVIEW B
- Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
- (2010) Albert P. Bartók et al. PHYSICAL REVIEW LETTERS
- Origins and implications of temperature-dependent activation energy barriers for dislocation nucleation in face-centered cubic metals
- (2009) D.H. Warner et al. ACTA MATERIALIA
- Evaluation of the Crystallographic Orientation Relationships between FCC and BCC Phases in TRIP Steels
- (2009) Kim Verbeken et al. ISIJ INTERNATIONAL
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- A unified framework and performance benchmark of fourteen multiscale atomistic/continuum coupling methods
- (2009) Ronald E Miller et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Phase-field models in materials science
- (2009) Ingo Steinbach MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- MOOSE: A parallel computational framework for coupled systems of nonlinear equations
- (2009) Derek Gaston et al. NUCLEAR ENGINEERING AND DESIGN
- Nucleation and growth of atomic layer deposition of HfO2 gate dielectric layers on silicon oxide: a multiscale modelling investigation
- (2009) A. Dkhissi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Implementing and testing the AM05 spin density functional
- (2009) Ann E. Mattsson et al. PHYSICAL REVIEW B
- Systematic time-scale-bridging molecular dynamics applied to flowing polymer melts
- (2009) Patrick Ilg et al. PHYSICAL REVIEW E
- The thermodynamic stability of amorphous oxide overgrowths on metals
- (2008) F. Reichel et al. ACTA MATERIALIA
- The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
- (2008) W. G. Noid et al. JOURNAL OF CHEMICAL PHYSICS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now