Artificial intelligence and machine learning in design of mechanical materials

K Guo, Z Yang, CH Yu, MJ Buehler - Materials Horizons, 2021 - pubs.rsc.org
Artificial intelligence, especially machine learning (ML) and deep learning (DL) algorithms,
is becoming an important tool in the fields of materials and mechanical engineering …

Unleashing the power of artificial intelligence in materials design

S Badini, S Regondi, R Pugliese - Materials, 2023 - mdpi.com
The integration of artificial intelligence (AI) algorithms in materials design is revolutionizing
the field of materials engineering thanks to their power to predict material properties, design …

Deep learning model to predict complex stress and strain fields in hierarchical composites

Z Yang, CH Yu, MJ Buehler - Science Advances, 2021 - science.org
Materials-by-design is a paradigm to develop previously unknown high-performance
materials. However, finding materials with superior properties is often computationally or …

End-to-end deep learning method to predict complete strain and stress tensors for complex hierarchical composite microstructures

Z Yang, CH Yu, K Guo, MJ Buehler - Journal of the Mechanics and Physics …, 2021 - Elsevier
Due to the high demand for materials with superior mechanical properties and diverse
functions, designing composite materials is an integral part in materials development …

[HTML][HTML] Generative design, manufacturing, and molecular modeling of 3D architected materials based on natural language input

YC Hsu, Z Yang, MJ Buehler - APL Materials, 2022 - pubs.aip.org
We describe a method to generate 3D architected materials based on mathematically
parameterized human readable word input, offering a direct materialization of language. Our …

A semi-supervised approach to architected materials design using graph neural networks

K Guo, MJ Buehler - Extreme Mechanics Letters, 2020 - Elsevier
Recent breakthroughs in artificial intelligence (AI) afford opportunities for new paradigms for
material design and optimization. For modeling-driven design approaches, the optimization …

End-to-end deep learning model to predict and design secondary structure content of structural proteins

CH Yu, W Chen, YH Chiang, K Guo… - ACS biomaterials …, 2022 - ACS Publications
Structural proteins are the basis of many biomaterials and key construction and functional
components of all life. Further, it is well-known that the diversity of proteins' function relies on …

End-to-end protein normal mode frequency predictions using language and graph models and application to sonification

Y Hu, MJ Buehler - ACS nano, 2022 - ACS Publications
The prediction of mechanical and dynamical properties of proteins is an important frontier,
especially given the greater availability of proteins structures. Here we report a series of …

Sonification based de novo protein design using artificial intelligence, structure prediction, and analysis using molecular modeling

CH Yu, MJ Buehler - APL bioengineering, 2020 - pubs.aip.org
We report the use of a deep learning model to design de novo proteins, based on the
interplay of elementary building blocks via hierarchical patterns. The deep neural network …

Rapid prediction of protein natural frequencies using graph neural networks

K Guo, MJ Buehler - Digital Discovery, 2022 - pubs.rsc.org
Natural vibrational frequencies of proteins help to correlate functional shifts with sequence
or geometric variations that lead to negligible changes in protein structures, such as point …