CeBr3scintillators for4He prompt gamma spectroscopy: Results from a Monte Carlo optimization study

2018 ◽  
Vol 45 (4) ◽  
pp. 1622-1630 ◽  
Author(s):  
Riccardo Dal Bello ◽  
Paulo Magalhaes Martins ◽  
Joao Seco
Keyword(s):  
Monte Carlo ◽  
Gamma Spectroscopy ◽  
Prompt Gamma ◽  
Monte Carlo Optimization ◽  
Optimization Study

The Application of the Combination of Monte Carlo Optimization Method based QSAR Modeling and Molecular Docking in Drug Design and Development

2020 ◽  
Vol 20 (14) ◽  
pp. 1389-1402 ◽  
Author(s):  
Maja Zivkovic ◽  
Marko Zlatanovic ◽  
Nevena Zlatanovic ◽  
Mladjan Golubović ◽  
Aleksandar M. Veselinović
Keyword(s):  
Monte Carlo ◽  
Molecular Docking ◽  
Computer Calculation ◽  
Molecular Graph ◽  
Optimization Method ◽  
Docking Studies ◽  
Optimization Approach ◽  
Qsar Modeling ◽  
Monte Carlo Optimization ◽  
Molecular Docking Studies

In recent years, one of the promising approaches in the QSAR modeling Monte Carlo optimization approach as conformation independent method, has emerged. Monte Carlo optimization has proven to be a valuable tool in chemoinformatics, and this review presents its application in drug discovery and design. In this review, the basic principles and important features of these methods are discussed as well as the advantages of conformation independent optimal descriptors developed from the molecular graph and the Simplified Molecular Input Line Entry System (SMILES) notation compared to commonly used descriptors in QSAR modeling. This review presents the summary of obtained results from Monte Carlo optimization-based QSAR modeling with the further addition of molecular docking studies applied for various pharmacologically important endpoints. SMILES notation based optimal descriptors, defined as molecular fragments, identified as main contributors to the increase/ decrease of biological activity, which are used further to design compounds with targeted activity based on computer calculation, are presented. In this mini-review, research papers in which molecular docking was applied as an additional method to design molecules to validate their activity further, are summarized. These papers present a very good correlation among results obtained from Monte Carlo optimization modeling and molecular docking studies.

scholarly journals PO-0905 Validation of a 4D Monte Carlo optimization and planning feature for CyberKnife lung treatment

2019 ◽  
Vol 133 ◽  
pp. S480-S481
Author(s):  
S. Trivellato ◽  
E. Rondi ◽  
S. Vigorito ◽  
E. Miglietta ◽  
F. Castellini ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Optimization

Monte Carlo Optimization of Two-Stage Cascade R134A Refrigeration System With Flash Chamber

2008 ◽  
Author(s):  
Yousef M. Abdel-Rahim
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Pressure Ratio ◽  
Volume Ratio ◽  
Heat Rate ◽  
Cycle Performance ◽  
Specific Work ◽  
Refrigeration System ◽  
Two Stage ◽  
Monte Carlo Optimization

Present paper studies the optimal characteristics of the two-stage cascade R134A refrigeration system with flash and mixing chambers over its operating ranges of all cycle controlling parameters. The COP, total heat rate in Qin, total work rate in Win and second law efficiency ηII are used as cycle performance parameters. Compared to the practically-limited other rate-based optimization methods and to other experimentally-optimized specific cases of cycle parameters, the application of Monte Carlo method has proved to be very effective for optimizing the cycle performance in its global sense over all cycle controlling parameters. Correlations relating performance and cycle controlling parameters are presented and discussed. Study shows that COP of the cycle can reach a value of 8 at intermediate pressure P2 of about 200 kPa, and a maximum value of 9.92 at about 370 kPa and 720 kPa, beyond which COP goes as low as 4.2. P2 alone has no significant effect on Qin, Win and ηII unless values of other controlling parameters are specified. Values of Qin, Win and ηII can reach as high as 94 kW, 23 kW and 0.85 and as low as 6.8 kW, 1.1 kW and 0.57 respectively depending on other cycle parameters. Neither pressure ratio nor volume ratio of the HP compressor has any effect on Qin, Win or ηII. However, the ratio of inlet to exit temperatures of the condenser has the greatest effect on both ηII and the volumetric specific work of the HP compressor, which is about double the value of the volumetric specific work of the LP compressor. Study shows an almost linear relationship between the two mass flow rates in the upper and lower loops of the cycle, where its value in the lower LP loop is about 75% that in the upper HP loop. Findings of the present work as well as the elaborate application of Monte Carlo method to real cycles can greatly open the way for reducing the trade-off design methods currently used in developing such systems as well as direct the useful experimentations and assessment of such designed systems.

scholarly journals Neutron Induced Capture Gamma Spectroscopy Sonde Design and Response Analysis Based on Monte Carlo Simulation

2015 ◽  
Vol 18 (3) ◽  
pp. 154-161 ◽  
Author(s):  
Byeongho Won ◽  
Seho Hwang ◽  
Jehyun Shin ◽  
Jongman Kim ◽  
Ki-Seog Kim ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Gamma Spectroscopy ◽  
Response Analysis

Adaptive Search in Quasi-Monte-Carlo Optimization

1995 ◽  
Vol 64 (210) ◽  
pp. 807
Author(s):  
Christian Biester ◽  
Peter J. Grabner ◽  
Gerhard Larcher ◽  
Robert F. Tichy
Keyword(s):  
Monte Carlo ◽  
Adaptive Search ◽  
Monte Carlo Optimization ◽  
Quasi Monte Carlo
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