Results 171 to 180 of about 2,196,757 (262)

Inverse Design of Nanoparticulate Materials

Advanced Materials, EarlyView.
Inverse design shifts nanomaterial development from empirical trial‐and‐error to predictive model‐driven strategies. It can rely on knowledge‐based, data‐based, or hybrid process and property functions. This perspective article provides a practical framework for applying inverse design based on instructive examples. It discusses which modeling approach
Nabi Etienne Traoré, Annika Mauch, Michelle Berthold, Lukas Pflug, Wolfgang Peukert, Nicolas Vogel   +5 more
wiley   +1 more source

MSF-HierGNN: a multi-source substructure-fusion hierarchical GNN method and web server to predict molecular property for drug design. [PDF]

Brief Bioinform
Xiao M, Xiao Y, Wu Y, You Y, Liu X, Van Thanh H, Zhang L.   +6 more
europepmc   +1 more source

Microgels Enable iPSCs to Assemble, Expand, and Differentiate Into Organoids—From Sizable to High‐Throughput

Advanced Materials, EarlyView.
A chemically defined PEG‐based microgel platform enables scalable, reproducible production of three‐dimensional microgel‐iPSC constructs in multiple sizes. The system is compatible with high‐throughput automation and supports human iPSC expansion and differentiation within a single construct, including directed differentiation into cardiac organoids ...
Laura Klasen, Matthias Mork, Ramin Nasehi, Vasudha Turuvekere Krishnamurthy, Kira Zeevaert, Aaron Babendreyer, Jacopo Di Russo, Wolfgang Wagner, Laura De Laporte   +8 more
wiley   +1 more source

Approximate Monotone Local Search for Weighted Problems. [PDF]

Algorithmica
Esmer BC, Kulik A, Marx D, Neuen D, Sharma R.   +4 more
europepmc   +1 more source

BlastGraph: a comparative genomics tool based on BLAST and graph algorithms. [PDF]

Bioinformatics, 2013
Ye Y, Wei B, Wen L, Rayner S.
europepmc   +1 more source

Framework Flexibility on Water Sorption and Transport in ZIF‐90: Insights from Neural‐Network Molecular Dynamics

Advanced Materials Interfaces, EarlyView.
A DeepMD‐based molecular dynamics framework is developed to investigate water adsorption in ZIF‐90, explicitly accounting for framework flexibility. Results show that atomistic flexibility significantly influences adsorption energetics, diffusion, and structural correlations, yielding nearly constant heat of adsorption and enhanced mobility.
Nick Mackus, Ionut Tranca, Veerapandian Ponnuchamy, Silvia Gaastra‐Nedea   +3 more
wiley   +1 more source

Novel Support Routing Algorithm for Quantum Satellite Networks with Finite Quantum Memory. [PDF]

Entropy (Basel)
Mihály A, Bacsárdi L.
europepmc   +1 more source

Surface Functionalization Modulates Collective Cell Behavior Near Topological Defects Induced by Topographical Patterning

Advanced Materials Interfaces, EarlyView.
Strongly adhered cells align with concentric circular ridges and exhibit predominantly tangential motion, whereas weakly adhered cells fail to follow topographical guidance and display enhanced radial inward motion. ABSTRACT Living cells establish long‐range orientational order through collective alignment, giving rise to topological defects whose ...
Prasoon Awasthi, Aniruddh Murali, Ellen Juel Pørtner, Adam Cohen Simonsen, Francesca Serra   +4 more
wiley   +1 more source

Ensemble clustering: A practical tutorial. [PDF]

Behav Res Methods
Gao CX, Wang S, Zhu Y, Ziou M, Teo SM, Smith CL, Chiu D, Talhouk A, Wang M, Yu W, Cotton SM, Dwyer D.   +11 more
europepmc   +1 more source

Atomistic Insights into Gradient Architecture Driven Strengthening in Additively Manufactured Cu–Ni Stepwise Graded Structures

Advanced Materials Interfaces, EarlyView.
Atomistic simulations reveal the interlayer mechanics of additively manufactured materials, showing how build direction and layer interfaces govern diffusion, defect evolution, and mechanical strength. Distinct anisotropic behavior arises from interface‐controlled deformation and dislocation activity, establishing critical links between microstructural
Rohit Singh, Jinoop Arackal Narayanan
wiley   +1 more source