Results 191 to 200 of about 6,057,560 (362)

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

Quantum circuits from non-unitary sparse binary matrices. [PDF]

Sci Rep
Karuppasamy K, Puram V, George KM, Johnson TP.   +3 more
europepmc   +1 more source

Theory and Applications of Two-dimensional, Null-boundary, Nine-Neighborhood, Cellular Automata Linear rules

, 2008
Pabitra Pal Choudhury, Birendra Kumar Nayak, Sudhakar Sahoo, Sunil Pankaj Rath   +3 more
openalex   +2 more sources

USE OF THE THEORY OF FINITE AUTOMATA FOR SUPERVISION OF THE OPERATION OF THE COMPRESSOR UNIT

, 2023
Anatolii Voloshko, Yaroslav Bederak, Volodymyr Moroz   +2 more
openalex   +2 more sources

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

Towards origins of virtual artificial life: an overview. [PDF]

Philos Trans R Soc Lond B Biol Sci
Stepney S.
europepmc   +1 more source

Constitutive Modeling of Single Crystal TRIP Steel Based on Transformation – Crystal Plasticity Theory and Computational Simulation of Its Transformation and Deformation Behavior by Cellular Automata Approach

, 2008
Takeshi Iwamoto, Toshiyuki Sawa, Shinji Kubo   +2 more
openalex   +2 more sources

Symbolic Automata: $ω$-Regularity Modulo Theories

, 2023
Margus Veanes, Thomas Ball, Gabriel Ebner, Olli Saarikivi   +3 more
openalex   +2 more sources

Symmetry is the Key to the Design of Reticular Frameworks

Advanced Materials, EarlyView.
Computational prediction of the molecular structure of porous materials, particularly reticular framework materials such as MOFs and COFs, remains a significant challenge. Considering the symmetry of the building blocks that form the desired material, and a similarity score with existing experimentally characterized structures, helps identify promising
Andrea Darù, John S. Anderson, Davide M. Proserpio, Laura Gagliardi   +3 more
wiley   +1 more source

The Psychosocial Resonance of Food Safety Risk: A Space-Time Perspective. [PDF]

Foods
Wang L, Sun H, Chen T.
europepmc   +1 more source