Learning from nature by leveraging integrative biomateriomics modeling toward adaptive and functional materials

Computational Design and Manufacturing of Sustainable Materials through First-Principles and Materiomics

(2023) Sabrina C. Shen et al.   Chemical Reviews

Molecular understanding of Ni 2+ -nitrogen family metal-coordinated hydrogel relaxation times using free energy landscapes

(2023) Eesha Khare et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Designing Bioinspired Composite Structures via Genetic Algorithm and Conditional Variational Autoencoder

(2023) Yi-Hung Chiu et al.   Polymers

Data-Driven Design of Polymer-Based Biomaterials: High-throughput Simulation, Experimentation, and Machine Learning

(2023) Roshan A. Patel et al.   ACS Applied Bio Materials

A Molecular‐Scale Understanding of Misorientation Toughening in Corals and Seashells

(2023) Andrew J. Lew et al.   ADVANCED MATERIALS

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

(2023) Rachel K. Luu et al.   APPLIED PHYSICS LETTERS

Collagen processing with mesoscale aggregates as templates and building blocks

(2023) Ying Pei et al.   BIOTECHNOLOGY ADVANCES

A computational building block approach towards multiscale architected materials analysis and design with application to hierarchical metal metamaterials

(2023) Markus J Buehler   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Role of AI in experimental materials science

(2023) Milad Abolhasani et al.   MRS BULLETIN

Top-down design of protein architectures with reinforcement learning

(2023) Isaac D. Lutz et al.   SCIENCE

AlphaFlow: autonomous discovery and optimization of multi-step chemistry using a self-driven fluidic lab guided by reinforcement learning

(2023) Amanda A. Volk et al.   Nature Communications

Generative design of de novo proteins based on secondary-structure constraints using an attention-based diffusion model

(2023) Bo Ni et al.   Chem

An artificial neural network for surrogate modeling of stress fields in viscoplastic polycrystalline materials

(2023) Mohammad S. Khorrami et al.   npj Computational Materials

Designing architected materials for mechanical compression via simulation, deep learning, and experimentation

(2023) Andrew J. Lew et al.   npj Computational Materials

Unsupervised cross-domain translation via deep learning and adversarial attention neural networks and application to music-inspired protein designs

(2023) Markus J. Buehler   Patterns

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

(2023) Markus J. Buehler   JOURNAL OF APPLIED PHYSICS

Modeling and design of heterogeneous hierarchical bioinspired spider web structures using deep learning and additive manufacturing

(2023) Wei Lu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Predictive Theoretical Framework for Dynamic Control of Bioinspired Hybrid Nanoparticle Self-Assembly

(2022) Xin Qi et al.   ACS Nano

Rapid mechanical property prediction and de novo design of three-dimensional spider webs through graph and GraphPerceiver neural networks

(2022) Wei Lu et al.   JOURNAL OF APPLIED PHYSICS

FieldPerceiver: Domain agnostic transformer model to predict multiscale physical fields and nonlinear material properties through neural ologs

(2022) Markus J. Buehler   Materials Today

Hierarchical Multiresolution Design of Bioinspired Structural Composites Using Progressive Reinforcement Learning

(2022) Chi‐Hua Yu et al.   Advanced Theory and Simulations

Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model

(2022) Markus J. Buehler   JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME

Discovering design principles of collagen molecular stability using a genetic algorithm, deep learning, and experimental validation

(2022) Eesha Khare et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CollagenTransformer: End-to-End Transformer Model to Predict Thermal Stability of Collagen Triple Helices Using an NLP Approach

(2022) Eesha Khare et al.   ACS Biomaterials-Science & Engineering

Multiscale Modeling at the Interface of Molecular Mechanics and Natural Language through Attention Neural Networks

(2022) Markus J. Buehler   Accounts of Chemical Research

Bioadhesive Design Toward Renewable Composites: Adhesive Distribution and Molecular Adhesion

(2022) Shengfei Zhou et al.   ADVANCED ENGINEERING MATERIALS

Generative multiscale analysis of de novo proteome-inspired molecular structures and nanomechanical optimization using a VoxelPerceiver transformer model

(2022) Zhenze Yang et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Hierarchically structured bioinspired nanocomposites

(2022) Dhriti Nepal et al.   NATURE MATERIALS

Inverse design of truss lattice materials with superior buckling resistance

(2022) Marco Maurizi et al.   npj Computational Materials

Transition-metal coordinate bonds for bioinspired macromolecules with tunable mechanical properties

(2021) Eesha Khare et al.   Nature Reviews Materials

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

(2021) Zhenze Yang et al.   Science Advances

Deep learning model to predict fracture mechanisms of graphene

(2021) Andrew J. Lew et al.   npj 2D Materials and Applications

Accurate and Transferable Reactive Molecular Dynamics Models from Constrained Density Functional Theory

(2021) Chenghan Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Highly accurate protein structure prediction with AlphaFold

(2021) John Jumper et al.   NATURE

Bioinspired translation of classical music into de novo protein structures using deep learning and molecular modeling

(2021) Mario Milazzo et al.   Bioinspiration & Biomimetics

Deep learning approach to assess damage mechanics of bone tissue

(2021) Sabrina Chin-yun Shen et al.   Journal of the Mechanical Behavior of Biomedical Materials

ColGen: An end-to-end deep learning model to predict thermal stability of de novo collagen sequences

(2021) Chi-Hua Yu et al.   Journal of the Mechanical Behavior of Biomedical Materials

A deep learning augmented genetic algorithm approach to polycrystalline 2D material fracture discovery and design

(2021) Andrew J. Lew et al.   Applied Physics Reviews

Machine Learning for Materials Scientists: An introductory guide towards best practices

(2020) Anthony Yu-Tung Wang et al.   CHEMISTRY OF MATERIALS

Thermodynamically stable whilst kinetically labile coordination bonds lead to strong and tough self-healing polymers

(2019) Jian-Cheng Lai et al.   Nature Communications

Multiscale Modeling of Silk and Silk‐Based Biomaterials—A Review

(2019) Diego López Barreiro et al.   MACROMOLECULAR BIOSCIENCE

Using artificial intelligence to accelerate materials development

(2019) Philip Ball   MRS BULLETIN

End-to-End Differentiable Learning of Protein Structure

(2019) Mohammed AlQuraishi   Cell Systems

A Self-Consistent Sonification Method to Translate Amino Acid Sequences into Musical Compositions and Application in Protein Design Using Artificial Intelligence

(2019) Chi-Hua Yu et al.   ACS Nano

Artificial intelligence for materials discovery

(2019) Carla P. Gomes et al.   MRS BULLETIN

The machine learning revolution in materials?

(2019) Kristofer G. Reyes et al.   MRS BULLETIN

Conductive Silk‐Based Composites Using Biobased Carbon Materials

(2019) Diego López Barreiro et al.   ADVANCED MATERIALS

A comprehensive review of selected biological armor systems – From structure-function to bio-mimetic techniques

(2019) Tu Van Le et al.   COMPOSITE STRUCTURES

The hidden structure of human enamel

(2019) Elia Beniash et al.   Nature Communications

Distinct Mechanical and Self-Healing Properties in Two Polydimethylsiloxane Coordination Polymers with Fine-Tuned Bond Strength

(2018) Da-Peng Wang et al.   INORGANIC CHEMISTRY

Recent Advances in Convolutional Neural Network Acceleration

(2018) Qianru Zhang et al.   NEUROCOMPUTING

Molecular Dynamics Simulation for All

(2018) Scott A. Hollingsworth et al.   NEURON

Bioinspired hierarchical composite design using machine learning: simulation, additive manufacturing, and experiment

(2018) Grace X. Gu et al.   Materials Horizons

Recent Advances in Metal-Containing Polymer Hydrogels

(2017) Hui Li et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Functional gradients and heterogeneities in biological materials: Design principles, functions, and bioinspired applications

(2017) Zengqian Liu et al.   PROGRESS IN MATERIALS SCIENCE

Pangolin armor: Overlapping, structure, and mechanical properties of the keratinous scales

(2016) Bin Wang et al.   Acta Biomaterialia

A highly stretchable autonomous self-healing elastomer

(2016) Cheng-Hui Li et al.   Nature Chemistry

Multiscale implementation of infinite-swap replica exchange molecular dynamics

(2016) Tang-Qing Yu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural Design Elements in Biological Materials: Application to Bioinspiration

(2015) Steven E. Naleway et al.   ADVANCED MATERIALS

Recent Advances in Nanoscale Bioinspired Materials

(2014) Melik C. Demirel et al.   MACROMOLECULAR BIOSCIENCE

Bioinspired structural materials

(2014) Ulrike G. K. Wegst et al.   NATURE MATERIALS

Structure–function–property–design interplay in biopolymers: Spider silk

(2013) Olena Tokareva et al.   Acta Biomaterialia

Structural motifs and elastic properties of hierarchical biological tissues – A review

(2013) Benny Bar-On et al.   JOURNAL OF STRUCTURAL BIOLOGY

Structural Biological Materials: Critical Mechanics-Materials Connections

(2013) M. A. Meyers et al.   SCIENCE

Bio-mimetic mechanisms of natural hierarchical materials: A review

(2012) Qiang Chen et al.   Journal of the Mechanical Behavior of Biomedical Materials

The hierarchical structure and mechanics of plant materials

(2012) L. J. Gibson   Journal of the Royal Society Interface

Ologs: A Categorical Framework for Knowledge Representation

(2012) David I. Spivak et al.   PLoS One

Structural solution using molecular dynamics: Fundamentals and a case study of epoxy-silica interface

(2011) Oral Büyüköztürk et al.   INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES

Hierarchical Silica Nanostructures Inspired by Diatom Algae Yield Superior Deformability, Toughness, and Strength

(2011) Andre P. Garcia et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Hierarchical Structure and Nanomechanics of Collagen Microfibrils from the Atomistic Scale Up

(2011) Alfonso Gautieri et al.   NANO LETTERS

The conflicts between strength and toughness

(2011) Robert O. Ritchie   NATURE MATERIALS

pH-induced metal-ligand cross-links inspired by mussel yield self-healing polymer networks with near-covalent elastic moduli

(2011) N. Holten-Andersen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Effects of crystalline subunit size on silk fiber mechanics

(2011) Murat Cetinkaya et al.   Soft Matter

Umbrella sampling

(2011) Johannes Kästner   Wiley Interdisciplinary Reviews-Computational Molecular Science

Computational and Theoretical Materiomics: Properties of Biological and de novo Bioinspired Materials

(2010) Markus J. Buehler   Journal of Computational and Theoretical Nanoscience

Merger of structure and material in nacre and bone – Perspectives on de novo biomimetic materials

(2009) Horacio D. Espinosa et al.   PROGRESS IN MATERIALS SCIENCE

Metals and the Integrity of a Biological Coating: The Cuticle of Mussel Byssus

(2008) Niels Holten-Andersen et al.   LANGMUIR

Biological materials: Structure and mechanical properties

(2007) Marc André Meyers et al.   PROGRESS IN MATERIALS SCIENCE