Results 11 to 20 of about 166 (161)

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

A State‐Adaptive Koopman Control Framework for Real‐Time Deformable Tool Manipulation in Robotic Environmental Swabbing

Advanced Robotics Research, EarlyView.
This work presents a state‐adaptive Koopman linear quadratic regulator framework for real‐time manipulation of a deformable swab tool in robotic environmental sampling. By combining Koopman linearization, tactile sensing, and centroid‐based force regulation, the system maintains stable contact forces and high coverage across flat and inclined surfaces.
Siavash Mahmoudi, Amirreza Davar, Dongyi Wang   +2 more
wiley   +1 more source

Traction Force Microscopy for Viscoelastic Substrates: A Semi‐Analytical Method

Advanced Science, EarlyView.
A semi‐analytical viscoelastic traction force microscopy framework is introduced for quantifying time‐resolved cell tractions on flat finite‐thickness substrates. The method generalizes elastic traction force microscopy to Generalized Maxwell materials, identifies when elastic approximations remain valid and, when they do not, shows that inferred ...
Adrià Villacrosa‐Ribas, Daniëlle C. A. Duffhues, Pim van den Bersselaar, Sarah Pragnere, Bart G. W. Groenen, Mariana Azevedo Gonzalez Oliva, Giuseppe Ciccone, Manuel Salmeron‐Sanchez, Carlijn V. C. Bouten, Jose J. Muñoz, Vito Conte   +10 more
wiley   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

Advanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai, Barak Ratzker, Pasquale Cavaliere, Dierk Raabe   +3 more
wiley   +1 more source

Beyond Percolation: Graphene‐Enabled Network Reinforcement Enhances Thermal Transport in Paraffin Phase‐Change Composites

Advanced Science, EarlyView.
Expanded‐graphite/graphene‐nanoplatelet hybrids deliver a near‐order‐of‐magnitude thermal‐conductivity enhancement in paraffin phase‐change materials. A microCT‐informed 3D modeling framework resolves the percolating EG backbone and captures sub‐voxel GNP enrichment, quantitatively linking microstructure to heat flow and revealing a graphene‐enabled ...
Thomas Hoke, Jackson Hoke, Shucheng Guo, Brittany Chan, Xi Chen   +4 more
wiley   +1 more source

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

Exact Discrete Stochastic Simulation With Deep‐Learning‐Scale Gradient Optimization

Advanced Science, EarlyView.
A 203,796‐parameter gene regulatory network classifies handwritten digits with 98.4% accuracy using exact stochastic dynamics. The framework decouples forward simulation from backward differentiation, making continuous‐time Markov chain models compatible with deep‐learning optimization.
Jose M. G. Vilar, Leonor Saiz
wiley   +1 more source

Dictionary‐based weak‐form training for noise‐robust series hybrid models with multiplicative unknowns

AIChE Journal, EarlyView.
ABSTRACT Hybrid modeling combines first‐principles equations with a data‐driven subcomponent. Training for the data‐driven part is sensitive to measurement noise when training targets are constructed using pointwise time derivatives. Beyond differentiation errors, hybrid models involve solving an inverse problem to estimate the data‐driven term, which ...
Hangjun Cho, Akshay Kudva, Parth Shah, Dongheon Lee, Joseph Sang‐Il Kwon   +4 more
wiley   +1 more source

A new drag and lift correlation for spherocylinders from fully resolved Immersed Boundary Method

AIChE Journal, EarlyView.
Abstract Many industrial processes deal with non‐spherical particles, e.g., mineral mining and biomass conversion. It is crucial to understand the particles' hydrodynamics to control and optimize these processes. To extend the current state‐of‐the‐art from arrays of spherical particles to spherocylindrical particles, we performed extensive particle ...
A. H. Huijgen, Y. Sterkenburgh, Y. Tang, N. G. Deen, M. W. Baltussen   +4 more
wiley   +1 more source

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

Advanced 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, G. Zhang, S. Anand, Z. Chen, J. Lin, A. Desai, S. Martiniani, F. Caravelli   +7 more
wiley   +1 more source