Results 121 to 130 of about 851,166 (333)

A Monte Carlo Method for Calculating Lynden-Bell Equilibrium in Self-Gravitating Systems. [PDF]

Entropy (Basel), 2023
Teles TN, Farias CAF, Pakter R, Levin Y.
europepmc   +1 more source

Quantum Emitters in Hexagonal Boron Nitride: Principles, Engineering and Applications

Advanced Functional Materials, EarlyView.
Quantum emitters in hexagonal boron nitride have emerged as a promising candidate for quantum information science. This review examines the fundamentals of these quantum emitters, including their level structures, defect engineering, and their possible chemical structures.
Thi Ngoc Anh Mai, Md Shakhawath Hossain, Nhat Minh Nguyen, Yongliang Chen, Chaohao Chen, Xiaoxue Xu, Quang Thang Trinh, Toan Dinh, Toan Trong Tran   +8 more
wiley   +1 more source

Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules. [PDF]

J Chem Theory Comput, 2023
Sukurma Z, Schlipf M, Humer M, Taheridehkordi A, Kresse G.   +4 more
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

Comparative Study of Monte Carlo and Quasi-Monte Carlo Techniques for Enhanced Derivative Pricing [PDF]

arXiv
This study presents a comparative analysis of Monte Carlo (MC) and quasi-Monte Carlo (QMC) methods in the context of derivative pricing, emphasizing convergence rates and the curse of dimensionality. After a concise overview of traditional Monte Carlo techniques for evaluating expectations of derivative securities, the paper introduces quasi-Monte ...
arxiv  

An efficient quasi-Monte Carlo method with forced fixed detection for photon scatter simulation in CT. [PDF]

PLoS One, 2023
Lin G, Deng S, Wang X.
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

A Monte Carlo Method for Testing the Statistical Significance of a Regression Equation [PDF]

, 1970
Iver A. Lund
openalex   +1 more source

Research on Surface Morphology of Gold Micro Bumps Based on Monte Carlo Method. [PDF]

Micromachines (Basel), 2023
Ji H, Tian W, Qian H, Sun X, Wang Y, Gu L, Zheng L.   +6 more
europepmc   +1 more source

Rational Design of Metal–Organic Frameworks for Pancreatic Cancer Therapy: from Machine Learning Screening to In Vivo Efficacy

Advanced Materials, EarlyView.
This work explores the MOF landscape to select a single, optimal candidate for successfully delivering cancer drugs (gemcitabine, paclitaxel, SN‐38) into tough pancreatic tumors. Machine learning and simulations guide this search, demonstrating colloidal stability, excellent biocompatibility, cellular uptake, and sustained release.
Francesca Melle, Dhruv Menon, João Conniot, Jon Ostolaza‐Paraiso, Sergio Mercado, Jhenifer Oliveira, Xu Chen, Bárbara B. Mendes, João Conde, David Fairen‐Jimenez   +9 more
wiley   +1 more source