Recent advances and applications of deep learning methods in materials science

K Choudhary, B DeCost, C Chen, A Jain… - npj Computational …, 2022 - nature.com
Deep learning (DL) is one of the fastest-growing topics in materials data science, with
rapidly emerging applications spanning atomistic, image-based, spectral, and textual data …

Machine learning for continuous innovation in battery technologies

M Aykol, P Herring, A Anapolsky - Nature Reviews Materials, 2020 - nature.com
Machine learning for continuous innovation in battery technologies | Nature Reviews
Materials Skip to main content Thank you for visiting nature.com. You are using a browser …

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

K Choudhary, KF Garrity, ACE Reid, B DeCost… - npj computational …, 2020 - nature.com
Abstract The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an
integrated infrastructure to accelerate materials discovery and design using density …

Perspective—combining physics and machine learning to predict battery lifetime

M Aykol, CB Gopal, A Anapolsky… - Journal of The …, 2021 - iopscience.iop.org
Forecasting the health of a battery is a modeling effort that is critical to driving improvements
in and adoption of electric vehicles. Purely physics-based models and purely data-driven …

Principles of the battery data genome

L Ward, S Babinec, EJ Dufek, DA Howey… - Joule, 2022 - cell.com
Batteries are central to modern society. They are no longer just a convenience but a critical
enabler of the transition to a resilient, low-carbon economy. Battery development capabilities …

Enabling modular autonomous feedback‐loops in materials science through hierarchical experimental laboratory automation and orchestration

F Rahmanian, J Flowers, D Guevarra… - Advanced Materials …, 2022 - Wiley Online Library
Materials acceleration platforms (MAPs) operate on the paradigm of integrating
combinatorial synthesis, high‐throughput characterization, automatic analysis, and machine …

Modeling the solid electrolyte interphase: Machine learning as a game changer?

D Diddens, WA Appiah, Y Mabrouk… - Advanced Materials …, 2022 - Wiley Online Library
The solid electrolyte interphase (SEI) is a complex passivation layer that forms in situ on
many battery electrodes such as lithium‐intercalated graphite or lithium metal anodes. Its …

Implications of the BATTERY 2030+ AI‐assisted toolkit on future low‐TRL battery discoveries and chemistries

A Bhowmik, M Berecibar… - Advanced Energy …, 2022 - Wiley Online Library
BATTERY 2030+ targets the development of a chemistry neutral platform for accelerating the
development of new sustainable high‐performance batteries. Here, a description is given of …

Autonomous intelligent agents for accelerated materials discovery

JH Montoya, KT Winther, RA Flores, T Bligaard… - Chemical …, 2020 - pubs.rsc.org
We present an end-to-end computational system for autonomous materials discovery. The
system aims for cost-effective optimization in large, high-dimensional search spaces of …

Toward autonomous materials research: Recent progress and future challenges

JH Montoya, M Aykol, A Anapolsky, CB Gopal… - Applied Physics …, 2022 - pubs.aip.org
The modus operandi in materials research and development is combining existing data with
an understanding of the underlying physics to create and test new hypotheses via …