Výsledky vyhledávání - "Computer Algorithms and Programming"

Aplicação do método Peer Instruction no ensino de algoritmos e programação de computadores ; Application of the Peer Instruction method in the teaching of computer algorithms and programming

Autoři: Oliveira, Maria Angélica Figueiredo Lima, Jose Valdeni de Canto Filho, Alberto Bastos do a další

Témata: Learning, Peer instruction, Algorithms and programming, Programação, Instrução entre pares

Popis souboru: application/pdf

Relation: RENOTE : revista novas tecnologias na educação. Porto Alegre, RS. Vol. 15, n. 1 (jul. 2017), p. 1-11; http://hdl.handle.net/10183/223908; 001078725

Dostupnost: http://hdl.handle.net/10183/223908

An advanced signal processing toolkit for Java applications

Autoři: Shah, Vijay Pravin

Témata: Signal processing Java (Computer program language) Estimation theory Computer algorithms. Internet programming.

Dostupnost: http://library.msstate.edu/etd/show.asp?etd=etd-11102002-141018

ChemTSv2: Functional molecular design using de novo molecule generator.

Autoři: Ishida, Shoichi Aasawat, Tanuj Sumita, Masato a další

Zdroj: WIREs: Computational Molecular Science; Nov/Dec2023, Vol. 13 Issue 6, p1-15, 15p

Témata: ALGORITHMS, ARTIFICIAL intelligence, COMPUTER programming, MOLECULES, FLUOROPHORES

Graph neural networks for conditional de novo drug design.

Autoři: Abate, Carlo Decherchi, Sergio Cavalli, Andrea

Zdroj: WIREs: Computational Molecular Science; Jul/Aug2023, Vol. 13 Issue 4, p1-23, 23p

Témata: DRUG design, DRUG discovery, ARTIFICIAL intelligence, MOLECULAR graphs, ALGORITHMS, DEEP learning

Automatic empirical techniques for developing efficient MPI collective communication routines

Autoři: Faraj, Ahmad A., Yuan, Xin.

Témata: High performance computing. Computer algorithms. Parallel programming (Computer science) Computer interfaces.

Dostupnost: http://etd.lib.fsu.edu/theses/available/07072006-162046

Efficient and enhanced sampling of drug‐like chemical space for virtual screening and molecular design using modern machine learning methods.

Autoři: Goel, Manan Aggarwal, Rishal Sridharan, Bhuvanesh a další

Zdroj: WIREs: Computational Molecular Science; Mar/Apr2023, Vol. 13 Issue 2, p1-17, 17p

Témata: MACHINE learning, CHEMICAL libraries, ARTIFICIAL intelligence, MARGINAL distributions, DRUG design

The MolSSI QCArchive project: An open‐source platform to compute, organize, and share quantum chemistry data.

Autoři: Smith, Daniel G. A. Altarawy, Doaa Burns, Lori A. a další

Zdroj: WIREs: Computational Molecular Science; Mar/Apr2021, Vol. 11 Issue 2, p1-15, 15p

Témata: QUANTUM chemistry, COMPUTING platforms, PYTHON programming language, COMPUTER programming, QUANTUM computing, WEB-based user interfaces

Advances in the prediction of mouse liver microsomal studies: From machine learning to deep learning.

Autoři: Renn, Alex Su, Bo‐Han Liu, Hsin a další

Zdroj: WIREs: Computational Molecular Science; Jan/Feb2021, Vol. 11 Issue 1, p1-16, 16p

Témata: MACHINE learning, CONVOLUTIONAL neural networks, FORECASTING, COMPUTER programming, BIOLOGICAL assay, DEEP learning

DFTpy: An efficient and object‐oriented platform for orbital‐free DFT simulations.

Autoři: Shao, Xuecheng Jiang, Kaili Mi, Wenhui a další

Zdroj: WIREs: Computational Molecular Science; Jan/Feb2021, Vol. 11 Issue 1, p1-16, 16p

Témata: PYTHON programming language, FAST Fourier transforms, METAL clusters, OPEN source software, LIQUID metals, DENSITY functionals

Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research : A use case

Autoři: Wieczór, M. Genna, V. Aranda, J. a další

Témata: BioExcel, COVID19, exascale, molecular dynamics, Computer programming, Expert systems, Monte Carlo methods, Statistical mechanics, Biomolecular Simulation, Centers of excellence, Exascale computing, Molecular simulations, Performance computing, Power, Simulation strategies, Computer Sciences, Datavetenskap (datalogi), Article in journal, info:eu-repo/semantics/article, text

URL: http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-324147
WIREs Computational Molecular Science, 1759-0876, 2023, 13:1

Machine intelligence for chemical reaction space

Autoři: Schwaller, Philippe Vaucher, Alain C. Laplaza, Ruben a další

Témata: Text

URL: http://infoscience.epfl.ch/record/292983

Ab initio computations of molecular systems by the auxiliary‐field quantum Monte Carlo method.

Autoři: Motta, Mario Zhang, Shiwei

Zdroj: WIREs: Computational Molecular Science; Sep/Oct2018, Vol. 8 Issue 5, p1-1, 29p

Témata: MONTE Carlo method, ELECTRONIC structure

In silico toxicology: comprehensive benchmarking of multi‐label classification methods applied to chemical toxicity data.

Autoři: Raies, Arwa B. Bajic, Vladimir B.

Zdroj: WIREs: Computational Molecular Science; May/Jun2018, Vol. 8 Issue 3, p1-1, 26p

Témata: TOXICITY testing, TOXICOLOGICAL chemistry, PREDICTION models

Advanced models for water simulations.

Autoři: Demerdash, Omar Wang, Lee‐Ping Head‐Gordon, Teresa

Zdroj: WIREs: Computational Molecular Science; Jan/Feb2018, Vol. 8 Issue 1, pn/a-1, 21p

Témata: WATER analysis, MOLECULAR dynamics, PHASE diagrams

Gator : A Python-driven program for spectroscopy simulations using correlated wave functions

Autoři: Rehn, D. R. Rinkevicius, Zilvinas Herbst, M. F. a další

Témata: computational spectroscopy, electronic structure theory, propagator theory, response theory, Algebra, Calculations, Cluster computing, Computation theory, Computer software, Electronic structure, High level languages, Perturbation techniques, Quantum chemistry, Wave functions, Ab initio electronic structure methods, Algebraic diagrammatic constructions, Correlated wave functions, High-performance computing clusters, Molecular properties, Object-oriented program, Object oriented programming, Theoretical Chemistry, Teoretisk kemi, Article in journal, info:eu-repo/semantics/article, text

URL: http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-307209
WIREs Computational Molecular Science, 1759-0876, 2021, 11:6

Automating Data Extraction From Scientific Literature and General PDF Files Using Large Language Models and KNIME: An Application in Toxicology

Autoři: José Teófilo Moreira‐Filho Dhruv Ranganath Ricardo S. Tieghi a další

Zdroj: WIREs Computational Molecular Science. 15

Advanced models for water simulations

Autoři: Demerdash, O Wang, LP Head-Gordon, T

Zdroj: Wiley Interdisciplinary Reviews: Computational Molecular Science; vol 8, iss 1; 1759-0876

Témata: Theoretical and Computational Chemistry, Information Systems, article

URL: https://escholarship.org/uc/item/2240z07q
https://escholarship.org/

Cultural lag and visionary challenges: Speculative approach to generative design

Autoři: Wei Weng Dmitry V. Galkin Zixuan Yue

Zdroj: Vestnik Tomskogo gosudarstvennogo universiteta. Kul'turologiya i iskusstvovedenie. :21-32

The supply chain advantages and application strategies of artificial intelligence and the Internet of Things.

Autoři: Wu, Yongyi Jiang, Jingfeng Wen, Zhendan

Zdroj: Journal of Computational Methods in Sciences & Engineering; 2024, Vol. 24 Issue 3, p1473-1493, 21p

Témata: ARTIFICIAL intelligence, INTERNET of things, MOBILE learning, TEACHING methods, ACCOUNTING education, VOCATIONAL education

HEOM‐QUICK2: A general‐purpose simulator for fermionic many‐body open quantum systems—An update

Autoři: Daochi Zhang Lyuzhou Ye Jiaan Cao a další

Zdroj: WIREs Computational Molecular Science. 14

Témata: 0103 physical sciences, 01 natural sciences, 7. Clean energy, 0104 chemical sciences