Results 261 to 270 of about 4,251,069 (374)

Docking in the Dark: Insights into Protein-Protein and Protein-Ligand Blind Docking. [PDF]

Pharmaceuticals (Basel)
Roomi MS, Culletta G, Longo L, Filgueira de Azevedo W, Perricone U, Tutone M.   +5 more
europepmc   +1 more source

Hybrid quantum physics-informed neural networks for simulating computational fluid dynamics in complex shapes

Alexandr Sedykh, Maninadh Podapaka, Asel Sagingalieva, Karan Pinto, Markus Pflitsch, Alexey Melnikov   +5 more
openalex   +1 more source

On‐Surface Indigo‐Based Bimolecular Coordination Networks with Programmable Regular or Vitreous Structure

Advanced Functional Materials, EarlyView.
A previously unreported coordination motif stabilising single Fe atoms by indigo chelation and pyridyl coordination on Au(111) has been revealed. By using planar tritopic pyridyl linkers (TPyB), extended 2D porous networks of indigo3(TPyB)2Fe6 form. These networks can be crystalline or vitreous and offer an environment where individual coordination ...
Hongxiang Xu, Ritam Chakraborty, Biao Yang, Dennis Meier, Joachim Reichert, Svetlana Klyatskaya, Mario Ruben, Shobhana Narasimhan, Johannes V. Barth, Anthoula C. Papageorgiou   +9 more
wiley   +1 more source

Experimental and computational dosimetry in an integrated workflow for remote audits in Ir-192 interstitial brachytherapy: Development and pilot implementation. [PDF]

J Appl Clin Med Phys
Pappas EP, Peppa V, Drakopoulou A, Velissariou E, Thrapsanioti Z, Kollias G, Koutsouveli E, Lymperopoulou G, Karaiskos P.   +8 more
europepmc   +1 more source

CONTINUING TEACHER EDUCATION COURSES OF COMPUTATIONAL RESOURCES IN THE TEACHING OF MATHEMATICS AND PHYSICS: CREATION, APPLICATION AND STUDY

, 2014
Ítalo Gabriel Neide, Maria Madalena Dullius, Marli Teresinha Quartieri   +2 more
openalex   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Metaoptics merging computational optics and optical computing toward intelligent visual perception. [PDF]

Sci Adv
Hu Y, Chi H, Duan H.
europepmc   +1 more source

Tunable Coordination Number in Non‐Metal‐Introduced Copper Catalysts Enables High‐Performance Electrochemical CO2 Reduction to C2 Products

Advanced Functional Materials, EarlyView.
Copper catalysts introduced with different non‐metallic elements regulating the coordination number of Cu are prepared by magnetron sputtering. Reducing the Cu coordination number enhances C─C coupling and boosts C2+ product selectivity, by lowering the energy barrier for the *CO → *CHO conversion step. The optimized Si‐doped Cu catalyst achieves a C2+
Xiaoye Du, Bo Gao, Yixuan Yang, Young In Jo, Dan Qian, Chunhui Xiao, Shujiang Ding, Zhongxiao Song, Ki Tae Nam   +8 more
wiley   +1 more source

Dynamics of one-dimensional spin models via complex-time evolution of tensor networks. [PDF]

Sci Rep
Cha JH, Lee HY, Kim HS.
europepmc   +1 more source

Mechanical Properties of Architected Polymer Lattice Materials: A Comparative Study of Additive Manufacturing and CAD Using FEM and µ‐CT

Advanced Functional Materials, EarlyView.
This study examines how pore shape and manufacturing‐induced deviations affect the mechanical properties of 3D‐printed lattice materials with constant porosity. Combining µ‐CT analysis, FEM, and compression testing, the authors show that structural imperfections reduce stiffness and strength, while bulk material inhomogeneities probably enhance ...
Oliver Walker, Thierry Roland, Damien Favier, Antoine Egele, Michael Heymann, Cosima Stubenrauch   +5 more
wiley   +1 more source