词条 | SAMSON |
释义 |
}}{{Infobox software | name = SAMSON | logo = File:SAMSON-logo.jpg | screenshot = SAMSON-screenshot.png | screenshot alt = Segment of tube with walls of grey lines forming hexagons, against a medium blue background. | caption = Interactively buckling a carbon nanotube. | author = | developer = NANO-D - INRIA[1] | released = | latest release version = | latest release date = | latest preview version = 0.7.0 | latest preview date = | status = Active | programming language = C++ (Qt) | operating system = Windows, macOS, Linux | platform = x86, x86-64 | size = | language = English | genre = Computational nanotechnology | license = | alexa = | website = {{URL|www.samson-connect.net}} }}SAMSON (Software for Adaptive Modeling and Simulation Of Nanosystems) is a computer software platform for computational nanoscience being developed by the NANO-D group at the French Institute for Research in Computer Science and Automation (INRIA).[1] SAMSON has a modular architecture that makes it suitable for different domains of nanoscience, including material science, life science, physics, electronics, chemistry, and education.[2][3][4][5][6][7] SAMSON ElementsSAMSON Elements are modules for SAMSON, developed with the SAMSON software development kit (SDK). SAMSON Elements help users perform tasks in SAMSON, including building new models, performing calculations, running interactive or offline simulations, and visualizing and interpreting results. SAMSON Elements may contain different class types, including for example:
SAMSON Elements expose their functions to SAMSON and other Elements through an introspection mechanism, and may thus be integrated and pipelined. Modeling and simulationSAMSON represents nanosystems using five categories of models:
Simulators (potentially interactive ones) are used to build physically-based models, and predict properties. Data graphAll models and simulators are integrated into a hierarchical, layered structure that form the SAMSON data graph. SAMSON Elements interact with each other and with the data graph to perform modeling and simulation tasks. A signals and slots mechanism makes it possible for data graph nodes to send events when they are updated, which makes it possible to develop e.g., adaptive simulation algorithms.[8][9][10] Node specification languageSAMSON has a node specification language (NSL) that users may employ to select data graph nodes based on their properties. Example NSL expressions include:
FeaturesSAMSON is developed in C++ and implements many features to ease developing SAMSON Elements, including:
SAMSON ConnectSAMSON, SAMSON Elements and the SAMSON Software Development Kit are distributed via the SAMSON Connect website.[2] The site acts as a repository for the SAMSON Elements being uploaded by developers, and users of SAMSON choose and add Elements from SAMSON Connect. See also
References1. ^1 NANO-D - INRIA {{Chemistry software}}2. ^1 [https://www.samson-connect.net/ SAMSON Connect] 3. ^[https://www.macinchem.org/blog/files/23588784239a539a2bbb56cd38671f38-2267.php SAMSON 0.7.0 is available - Macs in Chemistry] 4. ^[https://www.macinchem.org/blog/files/03dfaf3d94e9a910cad0069ed17539e0-2281.php RDKit in SAMSON - Macs in Chemistry] 5. ^{{cite journal |journal= Journal of Chemical Information and Modeling |doi= 10.1021/acs.jcim.6b00264 |title= Molecular Propensity as a Driver for Explorative Reactivity Studies |year= 2016|last1= Vaucher |first1= Alain C. |last2= Reiher|first2= Markus|volume= 56|number= 8|pages= 1470–1478|arxiv= 1604.06748}} 6. ^{{cite journal |journal= Journal of Chemical Theory and Computation |doi= 10.1021/acs.jctc.7b00011 |title= Steering Orbital Optimization out of Local Minima and Saddle Points Toward Lower Energy |year= 2017|last1= Vaucher |first1= Alain C. |last2= Reiher|first2= Markus|volume= 13|number= 3|pages= 1219–1228|arxiv= 1701.00128}} 7. ^{{cite journal |journal= IEEE Transactions on Visualization and Computer Graphics |doi= 10.1109/TVCG.2017.2743981 |title= Multiscale Visualization and Scale-Adaptive Modification of DNA Nanostructures |year= 2017|last1= Miao |first1= Haichao |last2= De Llano|first2= Elisa|last3= Sorger|first3= Johannes |last4= Ahmadi|first4= Yasaman |last5= Kekic|first5= Tadija |last6= Isenberg|first6= Tobias |last7= Gröller|first7= M. Eduard|last8= Barišić|first8= Ivan |last9=Viola|first9= Ivan |volume= 24|number= 1|pages= 1014 - 1024}} 8. ^{{cite journal |journal= Physical Review Letters |doi= 10.1103/PhysRevLett.109.190201 |title= Adaptively Restrained Particle Simulations |year= 2012 |last1= Artemova |first1= Svetlana |last2= Redon |first2= Stephane |volume= 109 |number= 19 |pages= 190201:1–5 |bibcode= 2012PhRvL.109s0201A |pmid=23215362|url= https://hal.inria.fr/hal-00756121/document }} 9. ^{{cite journal |journal= Journal of Computational Physics |doi= 10.1016/j.jcp.2011.12.006 |title= Interactive physically-based structural modeling of hydrocarbon systems |year= 2012 |last1= Bosson |first1= Mael |last2= Grudinin |first2= Sergei |last3= Bouju |first3= Xavier |last4= Redon |first4= Stephane |volume= 231 |number= 6 |pages= 2581–2598 |bibcode= 2012JCoPh.231.2581B}} 10. ^{{cite journal |journal= Journal of Computational Chemistry |doi= 10.1002/jcc.23157 |pmid= 23108532 |title= Block-Adaptive Quantum Mechanics: An Adaptive Divide-and-Conquer Approach to Interactive Quantum Chemistry |year= 2013 |last1= Bosson |first1= Mael |last2= Grudinin |first2= Sergei |last3= Redon |first3= Stephane |volume= 34 |number= 6 |pages= 492–504}} 3 : Computational chemistry software|Nanotechnology|Simulation software |
随便看 |
|
开放百科全书收录14589846条英语、德语、日语等多语种百科知识,基本涵盖了大多数领域的百科知识,是一部内容自由、开放的电子版国际百科全书。