Machine learning for electrocatalyst and photocatalyst design and discovery

H Mai, TC Le, D Chen, DA Winkler… - Chemical …, 2022 - ACS Publications
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

Photocatalytic CO2 reduction

S Fang, M Rahaman, J Bharti, E Reisner… - Nature reviews …, 2023 - nature.com
Using sunlight to power CO2 conversion into value-added chemicals and fuels is a
promising technology to use anthropogenic CO2 emissions for alleviating our dependence …

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 …

Materials for extreme environments

S Eswarappa Prameela, TM Pollock, D Raabe… - Nature Reviews …, 2023 - nature.com
Materials for extreme environments can help to protect people, structures and the planet.
Extreme temperatures in aeroplane engines, hypervelocity micrometeoroid impacts on …

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

AA Volk, RW Epps, DT Yonemoto, BS Masters… - Nature …, 2023 - nature.com
Closed-loop, autonomous experimentation enables accelerated and material-efficient
exploration of large reaction spaces without the need for user intervention. However …

Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back

BA Koscher, RB Canty, MA McDonald, KP Greenman… - Science, 2023 - science.org
A closed-loop, autonomous molecular discovery platform driven by integrated machine
learning tools was developed to accelerate the design of molecules with desired properties …

Human-and machine-centred designs of molecules and materials for sustainability and decarbonization

J Peng, D Schwalbe-Koda, K Akkiraju, T **e… - Nature Reviews …, 2022 - nature.com
Breakthroughs in molecular and materials discovery require meaningful outliers to be
identified in existing trends. As knowledge accumulates, the inherent bias of human intuition …

Revolutionizing drug formulation development: The increasing impact of machine learning

Z Bao, J Bufton, RJ Hickman, A Aspuru-Guzik… - Advanced Drug Delivery …, 2023 - Elsevier
Over the past few years, the adoption of machine learning (ML) techniques has rapidly
expanded across many fields of research including formulation science. At the same time …

Emerging trends in machine learning: a polymer perspective

TB Martin, DJ Audus - ACS Polymers Au, 2023 - ACS Publications
In the last five years, there has been tremendous growth in machine learning and artificial
intelligence as applied to polymer science. Here, we highlight the unique challenges …

Recent advances and applications of machine learning in experimental solid mechanics: A review

H **, E Zhang, HD Espinosa - Applied …, 2023 - asmedigitalcollection.asme.org
For many decades, experimental solid mechanics has played a crucial role in characterizing
and understanding the mechanical properties of natural and novel artificial materials …