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Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation
The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …
traditional research paradigms in the era of artificial intelligence and automation. An …
Data-driven methods for accelerating polymer design
TK Patra - ACS Polymers Au, 2021 - ACS Publications
Optimal design of polymers is a challenging task due to their enormous chemical and
configurational space. Recent advances in computations, machine learning, and increasing …
configurational space. Recent advances in computations, machine learning, and increasing …
Machine learning overcomes human bias in the discovery of self-assembling peptides
Peptide materials have a wide array of functions, from tissue engineering and surface
coatings to catalysis and sensing. Tuning the sequence of amino acids that comprise the …
coatings to catalysis and sensing. Tuning the sequence of amino acids that comprise the …
Multi-band and wide-angle nonreciprocal thermal radiation
Violating Kirchhoff's radiation law through magneto-optical materials or spatiotemporal
(Floquet) metamaterials can open a new door for engineering thermal radiation by breaking …
(Floquet) metamaterials can open a new door for engineering thermal radiation by breaking …
Machine learning accelerates the investigation of targeted MOFs: performance prediction, rational design and intelligent synthesis
Metal-organic frameworks (MOFs) are a new class of nanoporous materials that are widely
used in various emerging fields due to their large specific surface area, high porosity and …
used in various emerging fields due to their large specific surface area, high porosity and …
Machine learning in perovskite solar cells: recent developments and future perspectives
Within a short period of time, perovskite solar cells (PSC) have attracted paramount research
interests among the photovoltaic (PV) community. Usage of machine learning (ML) into PSC …
interests among the photovoltaic (PV) community. Usage of machine learning (ML) into PSC …
[HTML][HTML] Perspective: Predicting and optimizing thermal transport properties with machine learning methods
In recent years,(big) data science has emerged as the “fourth paradigm” in physical science
research. Data-driven techniques, eg machine learning, are advantageous in dealing with …
research. Data-driven techniques, eg machine learning, are advantageous in dealing with …
Evolving the materials genome: How machine learning is fueling the next generation of materials discovery
Machine learning, applied to chemical and materials data, is transforming the field of
materials discovery and design, yet significant work is still required to fully take advantage of …
materials discovery and design, yet significant work is still required to fully take advantage of …
Thermal half-lives of azobenzene derivatives: Virtual screening based on intersystem crossing using a machine learning potential
S Axelrod, E Shakhnovich… - ACS Central …, 2023 - ACS Publications
Molecular photoswitches are the foundation of light-activated drugs. A key photoswitch is
azobenzene, which exhibits trans–cis isomerism in response to light. The thermal half-life of …
azobenzene, which exhibits trans–cis isomerism in response to light. The thermal half-life of …
Machine learning-optimized Tamm emitter for high-performance thermophotovoltaic system with detailed balance analysis
Light-matter interaction upon nanophotonic structures in the infrared wavelength has drew
increasing attentions due to the extensive potential applications. Among them …
increasing attentions due to the extensive potential applications. Among them …