Results 171 to 180 of about 1,598,186 (291)

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

open access: yesAdvanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

A Unifying Approach to Self‐Organizing Systems Interacting via Conservation Laws

open access: yesAdvanced Intelligent Discovery, EarlyView.
The article develops a unified way to model and analyze self‐organizing systems whose interactions are constrained by conservation laws. It represents physical/biological/engineered networks as graphs and builds projection operators (from incidence/cycle structure) that enforce those constraints and decompose network variables into constrained versus ...
F. Barrows   +7 more
wiley   +1 more source

Practical Computational Exploration of Chemical Reaction Space: Assessing the Chemical Stability of Active Pharmaceutical Ingredients Under Acidic Conditions

open access: yesAngewandte Chemie, EarlyView.
Metadynamics simulations drive automated reaction exploration of acid‐catalysed drug degradation, generating a network spanning 1720 species and 2471 elementary steps. QM‐based filtering reduces the network to eight candidate pathways for rigorous DFT refinement and microkinetic modelling.
Julius Seumer   +5 more
wiley   +2 more sources

Hydraulic and Thermal Performance of Microchannel Heat Sink Inserted with Pin Fins. [PDF]

open access: yesMicromachines (Basel), 2021
Xie GF   +5 more
europepmc   +1 more source

Autonomous AI‐Driven Design for Skin Product Formulations

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang   +5 more
wiley   +1 more source

CO2 as a Redox Shuttle Enables Photocatalytic Dehydrogenative Decarbonylation of Biomass‐Derived Alcohols to Light Alkanes

open access: yesAngewandte Chemie, EarlyView.
A heterogeneous photocatalytic system has been developed that enables the dehydrogenative decarbonylation of primary alcohols under visible light using highly dispersed oxidic iron sites supported on aryl‐modified graphitic carbon nitride (Fe@f–gC3N4).
Jun Hu   +11 more
wiley   +2 more sources

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