Results 141 to 150 of about 4,251,069 (374)

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Leveraging trust for joint multi-objective and multi-fidelity optimization

Machine Learning: Science and Technology
In the pursuit of efficient optimization of expensive-to-evaluate systems, this paper investigates a novel approach to Bayesian multi-objective and multi-fidelity (MOMF) optimization.
Faran Irshad, Stefan Karsch, Andreas Döpp   +2 more
doaj   +1 more source

Computational and Experimental Fluid Mechanics with Applications to Physics, Engineering and the Environment [PDF]

, 2014
E. Mayoral, Eduardo Nahmad-Achar, Eloy Sira   +2 more
openalex   +1 more source

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel   +2 more
wiley   +1 more source

Research Activity in Computational Physics utilizing High Performance Computing: Co-authorship Network Analysis [PDF]

, 2016
Sul-Ah Ahn, Youngim Jung
openalex   +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

Advanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer, Mareen Stahlberger, Xiaojing Liu, Yi Luo, Niklas E. Häußermann, Puja Singhvi, Yidong Liu, Olaf Fuhr, Martin Nieger, Lars Heinke, Thomas Heine, Christof Wöll, Stefan Bräse   +12 more
wiley   +1 more source

Organic Electrochemical Transistor Channel Materials: Copolymerization Versus Physical Mixing of Glycolated and Alkoxylated Polymers

Advanced Functional Materials, EarlyView.
This work discusses the use of blended channel materials in OECTs. It explores how mixing glycolated and alkoxylated polymers in various ratios offers a simpler and more efficient route to tuning OECT properties. The performance of the polymer blends is compared to the corresponding copolymers, demonstrating similar OECT characteristics, swelling ...
Lize Bynens, Kaishuai Zhang, Priscila Cavassin, Arwin Goossens, Jochen Vanderspikken, Tania C. H. Castillo, Demetra Tsokkou, Adam Marks, Arianna Magni, Karrie Weaver, Laurence Lutsen, Sahika Inal, Koen Vandewal, Natalie Banerji, Wouter Maes   +14 more
wiley   +1 more source

Information theoretic and neural computational tools for meta-analysis of cumulative databases in the age of Big Physics experiments [PDF]

, 2022
A. Murari, M. Lungaroni, L. Spolladore, E. Peluso, Riccardo Rossi, M. Gelfusa   +5 more
openalex   +1 more source

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source

Calibration of multi-physics computational models using Bayesian networks [PDF]

, 2012
You Ling, Joshua Mullins, Sankaran Mahadevan   +2 more
openalex   +1 more source