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Volumn 7136 LNCS, Issue , 2012, Pages 265-275

InSilicoLab - Managing complexity of chemistry computations

Author keywords

computational chemistry; computional resources; e science; experiment; in silico; PSE

Indexed keywords

COMPLEX COMPUTATION; COMPUTATIONAL SOFTWARE; COMPUTIONAL RESOURCES; E-SCIENCE; FEASIBILITY STUDIES; GENERIC ARCHITECTURE; GRID PORTALS; GRID RESOURCE; IN SILICO; JOB SUBMISSION; PSE;

EID: 84857693417     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-642-28267-6_21     Document Type: Article
Times cited : (11)

References (16)
  • 1
    • 84857759761 scopus 로고    scopus 로고
    • InSilicoLab -an application portal supporting in silico experiments on e-Infrastructures
    • InSilicoLab -an application portal supporting in silico experiments on e-Infrastructures, http://insilicolab.grid.cyfronet.pl
  • 2
    • 84857709578 scopus 로고    scopus 로고
    • Gaussian Inc. Wallingford CT
    • Frisch, M.J., et al.: Gaussian 09. Gaussian, Inc., Wallingford CT (2009)
    • (2009) Gaussian , vol.9
    • Frisch, M.J.1
  • 4
    • 84857727778 scopus 로고    scopus 로고
    • TURBOMOLE -Program Package for ab initio Electronic Structure Calculations
    • TURBOMOLE -Program Package for ab initio Electronic Structure Calculations, http://www.turbomole.com/
  • 7
    • 84857752331 scopus 로고    scopus 로고
    • Jmol: An open-source Java viewer for chemical structures in 3D
    • Jmol: An open-source Java viewer for chemical structures in 3D, http://www.jmol.org/
  • 9
    • 84857752139 scopus 로고    scopus 로고
    • Managing entire lifecycles of e-science applications in the gridspace2 virtual laboratory -from motivation through idea to operable web-accessible environment built on top of PL-Grid e-infrastructure
    • In: Bubak, M., Szepieniec, T., Wiatr, K. (eds.) Springer, Heidelberg
    • Ciepiela, E., Nowakowski, P., Kocot, J., Harȩžlak, D., Gubala, T., Meizner, J., Kasztelnik, M., Bartyński, T., Malawski, M., Bubak, M.: Managing Entire Lifecycles of e-Science Applications in the GridSpace2 Virtual Laboratory -from Motivation through Idea to Operable Web-Accessible Environment Built on Top of PL-Grid e-Infrastructure. In: Bubak, M., Szepieniec, T., Wiatr, K. (eds.) PL-Grid 2011. LNCS, vol. 7136, pp. 228-239. Springer, Heidelberg (2012)
    • (2012) PL-Grid 2011. LNCS , vol.7136 , pp. 228-239
    • Ciepiela, E.1    Nowakowski, P.2    Kocot, J.3    Harȩžlak, D.4    Gubala, T.5    Meizner, J.6    Kasztelnik, M.7    Bartyński, T.8    Malawski, M.9    Bubak, M.10
  • 10
    • 84857759302 scopus 로고    scopus 로고
    • WebMO -a free World Wide Web-based interface to computational chemistry packages
    • WebMO -a free World Wide Web-based interface to computational chemistry packages, http://www.webmo.net
  • 11
    • 84857703436 scopus 로고    scopus 로고
    • ECCE -Extensible Computational Chemistry Environment
    • ECCE -Extensible Computational Chemistry Environment, http://ecce.pnl.gov
  • 12
    • 84857707563 scopus 로고    scopus 로고
    • Materials Studio -a comprehensive materials modeling and simulation application
    • Materials Studio -a comprehensive materials modeling and simulation application, http://accelrys.com/products/materials-studio/index.html
  • 13
    • 84857766890 scopus 로고    scopus 로고
    • Gaussian VO
    • Gaussian VO, http://egee.grid.cyfronet.pl/Applications/gaussian-vo/
  • 14
    • 84857757556 scopus 로고    scopus 로고
    • PL-Grid -Polish Infrastructure for Supporting Computational Science in the European Research Space
    • PL-Grid -Polish Infrastructure for Supporting Computational Science in the European Research Space, http://www.plgrid.pl/
  • 15
    • 84857705879 scopus 로고    scopus 로고
    • The Gromacs application
    • The Gromacs application, http://www.gromacs.org/
  • 16
    • 84857779860 scopus 로고    scopus 로고
    • PL-Grid e-Infrastructure for the cherenkov telescope array observatory
    • In: Bubak, M., Szepieniec, T., Wiatr, K. (eds.) Springer, Heidelberg
    • Barnacka, A., Bogacz, L., Gochna, M., Janiak, M., Komin, N., Lamanna, G., Moderski, R., Siudek, M.: PL-Grid e-Infrastructure for the Cherenkov Telescope Array Observatory. In: Bubak, M., Szepieniec, T., Wiatr, K. (eds.) PL-Grid 2011. LNCS, vol. 7136, pp. 301-313. Springer, Heidelberg (2012)
    • (2012) PL-Grid 2011. LNCS , vol.7136 , pp. 301-313
    • Barnacka, A.1    Bogacz, L.2    Gochna, M.3    Janiak, M.4    Komin, N.5    Lamanna, G.6    Moderski, R.7    Siudek, M.8


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.