Enhancing computational fluid dynamics with machine learning
https://doi.org/10.1038/s43588-022-00264-7
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https://doi.org/10.1038/s43588-022-00264-7
We review the current state of data mining and machine learning in astronomy. Data Mining can have a somewhat mixed connotation from the point of view of a researcher in this field. If used correctly, it can be a powerful approach, holding ...
https://doi.org/10.1142/s0218271810017160
Advances in machine learning have impacted myriad areas of materials science, such as the discovery of novel materials and the improvement of molecular simulations, with likely many more important developments to come. Given the rapid chang...
https://doi.org/10.1146/annurev-matsci-070218-010015
Machine learning algorithms learn a desired input-output relation from examples in order to interpret new inputs. This is important for tasks such as image and speech recognition or strategy optimisation, with growing applications in the IT...
https://doi.org/10.1080/00107514.2014.964942
As the quantum chemistry (QC) community embraces machine learning (ML), the number of new methods and applications based on the combination of QC and ML is surging. In this Perspective, a view of the current state of affairs in this new and...
https://doi.org/10.1021/acs.jpclett.9b03664
Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of noninteracting fermions in 1D, mean absolute errors below 1 kcal/mol on test densities similar to the training set are reached with ...
https://doi.org/10.1103/physrevlett.108.253002
Abstract Polymers have been widely used in energy storage, construction, medicine, aerospace, and so on. However, the complexity of chemical composition and morphology of polymers has brought challenges to their development. Thanks to the i...
https://doi.org/10.1002/inf2.12167
https://doi.org/10.1038/s42256-020-0146-9
Quantum matter, the research field studying phases of matter whose properties are intrinsically quantum mechanical, draws from areas as diverse as hard condensed matter physics, materials science, statistical mechanics, quantum information,...
https://doi.org/10.1080/23746149.2020.1797528
Data-driven discovery is revolutionizing how we model, predict, and control complex systems. Now with Python and MATLAB®, this textbook trains mathematical scientists and engineers for the next generation of scientific discovery by offering...
https://doi.org/10.1017/9781009089517.019
https://doi.org/10.1038/s41566-020-00716-4
This chapter addresses the role that data-driven approaches, especially machine learning methods, are expected to play in materials research in the immediate future. Machine learning, an important part of artificial intelligence, has made m...
https://doi.org/10.1002/9781119148739.ch4
https://doi.org/10.1007/978-3-319-18305-3
A machine-learning approach called "reservoir computing" has been used successfully for short-term prediction and attractor reconstruction of chaotic dynamical systems from time series data. We present a theoretical framework that describes...
https://doi.org/10.1063/1.5039508
Machine learning algorithms are generally developed in computer science or adjacent disciplines and find their way into chemical modeling by a process of diffusion. Though particular machine learning methods are popular in chemoinformatics ...
https://doi.org/10.1002/wcms.1183
PMC: 4180928
Combustion science is an interdisciplinary study that involves nonlinear physical and chemical phenomena in time and length scales, including complex chemical reactions and fluid flows. Combustion widely supplies energy for powering vehicle...
https://doi.org/10.1016/j.egyai.2021.100128
https://doi.org/10.1038/nature23474
The field of fluid mechanics is rapidly advancing, driven by unprecedented volumes of data from experiments, field measurements, and large-scale simulations at multiple spatiotemporal scales. Machine learning (ML) offers a wealth of techniq...
https://doi.org/10.1146/annurev-fluid-010719-060214
https://doi.org/10.1038/s41586-018-0337-2
Abstract Traditional methods of discovering new materials, such as the empirical trial and error method and the density functional theory (DFT)‐based method, are unable to keep pace with the development of materials science today due to the...
https://doi.org/10.1002/inf2.12028