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With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many…

Materials Science · Physics 2016-01-12 Rémi Dingreville , Richard A. Karnesky , Guillaume Puel , Jean-Hubert Schmitt

It is important to accurately model materials' properties at lower length scales (micro-level) while translating the effects to the components and/or system level (macro-level) can significantly reduce the amount of experimentation required…

Computers and Society · Computer Science 2022-11-08 Kazuma Kobayashi , Shoaib Usman , Carlos Castano , Dinesh Kumar , Syed Alam

Hybrid simulation (HS) is a widely used structural testing method that combines a computational substructure with a numerical model for well-understood components and an experimental substructure for other parts of the structure that are…

Machine Learning · Computer Science 2020-04-07 Elif Ecem Bas , Mohamed A. Moustafa , David Feil-Seifer , Janelle Blankenburg

This paper draws on perspectives from co-design as an integrative and collaborative design activity and co-simulation as a supporting information system to advance engineering design methods for problems of societal significance. Design and…

Computers and Society · Computer Science 2021-05-05 Paul T. Grogan

The optimization of large experiments in fundamental science, such as detectors for subnuclear physics at particle colliders, shares with the optimization of complex systems for industrial or societal applications the common issue of…

Instrumentation and Detectors · Physics 2026-03-30 Tommaso Dorigo , Pietro Vischia , Shahzaib Abbas , Tosin Adewumi , Lama Alkhaled , Lorenzo Arsini , Muhammad Awais , Maxim Borisyak , András Bóta , Florian Bury , Sascha Caron , James Carzon , Long Chen , Prakash C. Chhipa , Paul Christakopoulos , Jacopo De Piccoli , Andrea De Vita , Zlatan Dimitrov , Michele Doro , Luigi Favaro , Francesco Ferranti , Santiago Folgueras , Rihab Gargouri , Nicolas R. Gauger , Andrea Giammanco , Christian Glaser , Tobias Golling , João A. Gonçalves , Hui Han , Hamza Hanif , Lukas Heinrich , Yan Chai Hum , Florent Imbert , Andreas Ipp , Michael Kagan , Noor Kainat Syeda , Rukshak Kapoor , Aparup Khatua , Eduard J. Kerkhoven , Jan Kieseler , Tobias Kortus , Ashish Kumar Singh , Marius S. Köppel , Daniel Lanchares , Ann Lee , Pelayo Leguina , Christos Leonidopoulos , Giuseppe Levi , Boying Li , Chang Liu , Marcus Liwicki , Karl Lowenmark , Enrico Lupi , Carlo Mancini-Terracciano , Dominik Maršík , Leonidas Matsakas , Hamam Mokayed , Federico Nardi , Amirhossein Nayebiastaneh , Xuan T. Nguyen , Aitor Orio , Jingjing Pan , Jigar Patel , Carmelo Pellegrino , María Pereira Martínez , Karolos Potamianos , Shah Rukh Qasim , Martin Ravn , Luis Recabarren Vergara , Humberto Reyes-González , Hipolito A. Riveros Guevara , Ippocratis D. Saltas , Rajkumar Saini , Fredrik Sandin , Alexander Schilling , Kylian Schmidt , Nicola Serra , Saqib Shahzad , Foteini Simistira Liwicki , Giles C. Strong , Kristian Tchiorniy , Mia Tosi , Andrey Ustyuzhanin , Xabier Cid Vidal , Kinga A. Wozniak , Mengqing Wu , Zahraa Zaher

To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…

Materials Science · Physics 2026-01-08 Md Rakibul Karim Akanda , Michael P. Richard

Process simulation is gaining attention for its ability to assess potential performance improvements and risks associated with business process changes. The existing literature presents various techniques, generally grounded in process…

Artificial Intelligence · Computer Science 2024-06-26 Rafael S. Oyamada , Gabriel M. Tavares , Sylvio Barbon Junior , Paolo Ceravolo

Characterizing the connection between material design decisions/parameters and their effective properties allows for accelerated materials development and optimization. We present a global sensitivity analysis of woven composite…

Computational Engineering, Finance, and Science · Computer Science 2021-04-29 Lincoln N. Collins , Scott A. Roberts

As the proliferation of high-throughput approaches in materials science is increasing the wealth of data in the field, the gap between accumulated-information and derived-knowledge widens. We address the issue of scientific discovery in…

Materials informatics is increasingly used to support modelling, analysis and design across the length scales of materials science, from atomistic simulations to microstructural characterisation and continuum descriptions. Despite rapid…

Tensor computations overwhelm traditional general-purpose computing devices due to the large amounts of data and operations of the computations. They call for a holistic solution composed of both hardware acceleration and software mapping.…

Hardware Architecture · Computer Science 2021-05-05 Qingcheng Xiao , Size Zheng , Bingzhe Wu , Pengcheng Xu , Xuehai Qian , Yun Liang

Simulation is a foundational tool for the analysis and testing of cyber-physical systems (CPS), underpinning activities such as algorithm development, runtime monitoring, and system verification. As CPS grow in complexity and scale,…

Software Engineering · Computer Science 2025-06-13 Quinn Thibeault , Giulia Pedrielli

The recent decades have seen various attempts at accelerating the process of developing materials targeted towards specific applications. The performance required for a particular application leads to the choice of a particular material…

Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require…

Complex engineered systems require coordinated design choices across heterogeneous components under multiple conflicting objectives and uncertain specifications. Monotone co-design provides a compositional framework for such problems by…

Optimization and Control · Mathematics 2026-03-20 Yujun Huang , Gioele Zardini

Materials informatics (MI), emerging from the integration of materials science and data science, is expected to significantly accelerate material development and discovery. The data used in MI are derived from both computational and…

Materials Science · Physics 2025-04-09 Yusuke Hashimoto , Xue Jia , Hao Li , Takaaki Tomai

We present some practical guidelines for software implementations of the meta-structure project introduced in previous contributions. The purpose of the meta-structure project is to implement models not only to detect, but also to induce,…

Adaptation and Self-Organizing Systems · Physics 2017-01-24 Gianfranco Minati

Co-design plays a pivotal role in energy system planning as it allows for the holistic optimization of interconnected components, fostering efficiency, resilience, and sustainability by addressing complex interdependencies and trade-offs…

Systems and Control · Electrical Eng. & Systems 2024-08-22 Rounak Meyur , Tonya Martin , Sumit Purohit

A meta-model of the input-output data of a computationally expensive simulation is often employed for prediction, optimization, or sensitivity analysis purposes. Fitting is enabled by a designed experiment, and for computationally expensive…

Methodology · Statistics 2023-12-01 Andrew Gill , David J. Warne , Antony M. Overstall , Clare McGrory , James M. McGree

Multiscale techniques have been widely shown to potentially overcome the limitation of homogenization schemes in representing the microscopic failure mechanisms in heterogeneous media as well as their influence on their structural response…

Numerical Analysis · Mathematics 2021-08-10 Fabrizio Greco , Lorenzo Leonetti , Paolo Lonetti , Raimondo Luciano , Andrea Pranno
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