Quadratic unconstrained binary optimization and constraint programming approaches for lattice-based cyclic peptide docking. [PDF]
Brubaker JK +6 more
europepmc +1 more source
The PRIMA Thesaurus for Materials Science and Engineering
The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa +8 more
wiley +1 more source
Scheduling Optimization of Electric Rubber-Tired Vehicles in Underground Coal Mines Based on Constraint Programming. [PDF]
Wan M, Li H, Wang H, Hou J.
europepmc +1 more source
A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann +8 more
wiley +1 more source
Learning and fine-tuning a generic value-selection heuristic inside a constraint programming solver. [PDF]
Marty T +6 more
europepmc +1 more source
Current Status and Challenges in Data Collection for Aerospace Coatings Deposited by Plasma Spraying
An innovative approach has been integrated into the GRENAT project to optimize plasma spraying and coating performance. Raw materials are accelerated and melted in the plasma generated by torches, creating coatings. Monitoring sensors collect process data which are combined with ex situ characterization data.
Lila Randriamananjara +8 more
wiley +1 more source
A Practical Noise2Noise Denoising Pipeline for High‐Throughput Raman Spectroscopy
A lightweight and reproducible denoising pipeline for high‐throughput Raman spectroscopy is introduced, based on a 1D convolutional autoencoder trained with a Noise2Noise strategy. Using only repeated short‐exposure acquisitions, the method suppresses stochastic noise without reference spectra, enabling reliable spectral reconstruction while preserving
David Martin‐Calle +5 more
wiley +1 more source
New AI‐Assisted Approach for Expanding the Solution Space: Application to Lattice Structure Design
This work introduces an innovative framework for designing structured materials by ex panding the design space through reparameterization of qualitative variables into continuous structural descriptors. Combined with machine‐learning‐based prediction and multi‐objective optimization, the approach enables the discovery of novel lattice architectures ...
G. H. Gahimbare +5 more
wiley +1 more source

