Discrete Variable Representation Implementation of the One-Electron Polarization Model

Autor: Thomas Sommerfeld, Tae Hoon Choi, Kenneth D. Jordan, Yilmaz Sl

Publikováno v: Journal of chemical theory and computation. 6(8)

A discrete variable representation (DVR) implementation of an one-electron polarization model (OPEM) for characterizing (H2O)n− clusters is described. For the (H2O)90− cluster, evaluation of the energy and gradient using a suitable DVR basis sets

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b34d1f78fcca1aced0dd716dbc4ea2cf
https://pubmed.ncbi.nlm.nih.gov/26613494

Modeling the spread of methicillin-resistant staphylococcus aureus (MRSA) outbreaks throughout the hospitals in Orange County, California

Autor: Lee, BY, McGlone, SM, Wong, KF, Yilmaz, SL, Avery, TR, Song, Y, Christie, R, Eubank, S, Brown, ST, Epstein, JM, Parker, JI, Burke, DS, Platt, R, Huang, SS

Publikováno v: Lee, BY; McGlone, SM; Wong, KF; Yilmaz, SL; Avery, TR; Song, Y; et al.(2011). Modeling the spread of methicillin-resistant staphylococcus aureus (MRSA) outbreaks throughout the hospitals in Orange County, California. Infection Control and Hospital Epidemiology, 32(6), 562-572. doi: 10.1086/660014. UC Irvine: Retrieved from: http://www.escholarship.org/uc/item/97x5z8q2

Background. Since hospitals in a region often share patients, an outbreak of methicillin-resistant Staphylococcus aureus (MRSA) infection in one hospital could affect other hospitals. methods. Using extensive data collected from Orange County (OC), C

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______325::d9b9e0bfde9b52fb3217d1b289ca9401
http://www.escholarship.org/uc/item/97x5z8q2

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The Regional Healthcare Ecosystem Analyst (RHEA): a simulation modeling tool to assist infectious disease control in a health system.

Autor: Lee BY; Public Health Computational and Operations Research, University of Pittsburgh, Pittsburgh, Pennsylvania 15213, USA. BYL1@pitt.edu, Wong KF, Bartsch SM, Yilmaz SL, Avery TR, Brown ST, Song Y, Singh A, Kim DS, Huang SS

Publikováno v: Journal of the American Medical Informatics Association : JAMIA [J Am Med Inform Assoc] 2013 Jun; Vol. 20 (e1), pp. e139-46. Date of Electronic Publication: 2013 Apr 09.