Results 271 to 280 of about 324,503 (332)

Energy Landscapes for the Unitary Coupled Cluster Ansatz. [PDF]

J Chem Theory Comput
Boy C, Filip MA, Wales DJ.
europepmc   +1 more source

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

Advanced Materials, EarlyView.
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar, Hasan Can Gulbalkan, Gokhan Onder Aksu, Seda Keskin   +3 more
wiley   +1 more source

Incorporating echo state network and sand cat swarm optimization algorithm based on quantum for named entity recognition. [PDF]

Sci Rep
Huang F, Wang B, Safarzadeh J.
europepmc   +1 more source

Synthetic Aspects and Characterization Needs in MOF Chemistry – from Discovery to Applications

Advanced Materials, EarlyView.
Overcoming the challenges of phase discovery, synthesis optimization and scale‐up, characterization, and computational studies is essential to accelerate the large‐scale application of MOFs. Life‐cycle analyses and techno‐economic analyses need to be performed to realistically assess their potential for industrial relevance.
Bastian Achenbach, Aysu Yurdusen, Norbert Stock, Guillaume Maurin, Christian Serre   +4 more
wiley   +1 more source

Thermodynamic signatures of diagonal nematicity in RbFe₂As₂ superconductor. [PDF]

PNAS Nexus
Mizukami Y, Tanaka O, Ishida K, Onishi A, Kageyama Y, Tsujii M, Ohno R, Kimura N, Mitsui T, Kitao S, Kurokuzu M, Seto M, Ishida S, Iyo A, Eisaki H, Hashimoto K, Shibauchi T.   +16 more
europepmc   +1 more source

Advancing from MOFs and COFs to Functional Macroscopic Porous Constructs

Advanced Materials, EarlyView.
This review study investigates the recent progress and methodologies for manufacturing metal–organic framework (MOF) or covalent–organic framework (COF)‐based 3D structured macroscopic porous constructs with high structural integrity, providing the possibility to control their porosity across dimensions.
Seyyed Alireza Hashemi, Ahmadreza Ghaffarkhah, Ali Akbar Isari, Mahyar Panahi‐Sarmad, Feng Jiang, Orlando J. Rojas, Stefan Wuttke, Mircea Dincă, Mohammad Arjmand   +8 more
wiley   +1 more source

Synthesis, optical, and photocatalytic properties of cellulose-derived carbon quantum dots. [PDF]

Sci Rep
Sheshmani S, Mardali M, Shokrollahzadeh S, Bide Y, Tarlani R.   +4 more
europepmc   +1 more source

Computational Modeling of Reticular Materials: The Past, the Present, and the Future

Advanced Materials, EarlyView.
Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman, Ruben Goeminne, Kuber Singh Rawat, Veronique Van Speybroeck   +3 more
wiley   +1 more source

Soybean Cultivar Breeding Has Increased Yields Through Extended Reproductive Growth Periods and Elevated Photosynthesis. [PDF]

Plants (Basel)
Sun H, Shen S, Yang J, Zou J, Harrison MT, Wang Z, Hu J, Guo H, Umburanas RC, Zhai Y, Wen X, Chen F, Yin X.   +12 more
europepmc   +1 more source

Covalent Organic Frameworks for Photocatalysis

Advanced Materials, EarlyView.
This review provides an overview of recent advances in covalent organic frameworks (COFs) for photocatalysis, focusing on sustainable energy applications like water splitting, hydrogen peroxide generation, and CO2 and N2 reduction. It discusses design principles, structure‐function relationships, challenges in COF photocatalysis, and strategies to ...
Bikash Mishra, Akhtar Alam, Avanti Chakraborty, Bidhan Kumbhakar, Samrat Ghosh, Pradip Pachfule, Arne Thomas   +6 more
wiley   +1 more source