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 …

Untapped potential of deep eutectic solvents for the synthesis of bioinspired inorganic–organic materials

M Wysokowski, RK Luu, S Arevalo, E Khare… - Chemistry of …, 2023 - ACS Publications
Since the discovery of deep eutectic solvents (DESs) in 2003, significant progress has been
made in the field, specifically advancing aspects of their preparation and physicochemical …

MeLM, a generative pretrained language modeling framework that solves forward and inverse mechanics problems

MJ Buehler - Journal of the Mechanics and Physics of Solids, 2023 - Elsevier
We report a flexible multi-modal mechanics language model, MeLM, applied to solve
various nonlinear forward and inverse problems, that can deal with a set of instructions …

[HTML][HTML] Deep language models for interpretative and predictive materials science

Y Hu, MJ Buehler - APL Machine Learning, 2023 - pubs.aip.org
Machine learning (ML) has emerged as an indispensable methodology to describe,
discover, and predict complex physical phenomena that efficiently help us learn underlying …

Breaking the tradeoffs between different mechanical properties in bioinspired hierarchical lattice metamaterials

P Wang, F Yang, B Zheng, P Li, R Wang… - Advanced Functional …, 2023 - Wiley Online Library
It is a long‐standing challenge to break the tradeoffs between different mechanical property
indicators such as the strength versus toughness in the design of lightweight lattice …

[HTML][HTML] Generative discovery of de novo chemical designs using diffusion modeling and transformer deep neural networks with application to deep eutectic solvents

RK Luu, M Wysokowski, MJ Buehler - Applied Physics Letters, 2023 - pubs.aip.org
We report a series of deep learning models to solve complex forward and inverse design
problems in molecular modeling and design. Using both diffusion models inspired by …

Deep Learning for Size‐Agnostic Inverse Design of Random‐Network 3D Printed Mechanical Metamaterials

H Pahlavani, K Tsifoutis‐Kazolis… - Advanced …, 2024 - Wiley Online Library
Practical applications of mechanical metamaterials often involve solving inverse problems
aimed at finding microarchitectures that give rise to certain properties. The limited resolution …

[HTML][HTML] Generative pretrained autoregressive transformer graph neural network applied to the analysis and discovery of novel proteins

MJ Buehler - Journal of Applied Physics, 2023 - pubs.aip.org
We report a flexible language-model-based deep learning strategy, applied here to solve
complex forward and inverse problems in protein modeling, based on an attention neural …

Generative retrieval-augmented ontologic graph and multiagent strategies for interpretive large language model-based materials design

MJ Buehler - ACS Engineering Au, 2024 - ACS Publications
Transformer neural networks show promising capabilities, in particular for uses in materials
analysis, design, and manufacturing, including their capacity to work effectively with human …

Titanium Multi‐Topology Metamaterials with Exceptional Strength

J Noronha, J Dash, J Rogers, M Leary… - Advanced …, 2024 - Wiley Online Library
Additively manufactured metamaterials are architectured cellular materials that can be
engineered through structural innovations to achieve unusual mechanical and …