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Projects / Programmes source: ARIS

Razvoj in aplikacija vecskalnih modelskih pristopov za simulacijo mehke snovi (Slovene)

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Research activity

Code Science Field Subfield
1.07.00  Natural sciences and mathematics  Computer intensive methods and applications   

Code Science Field
1.07  Natural Sciences  Other natural sciences 
Evaluation (rules)
source: COBISS
Citations Citations for bibliographic records in COBIB.SI that are linked to records in citation databases
source: WoS source: Scopus source: COBISS
Researchers (10)
no. Code Name and surname Research area Role Period No. of publications
1.  23422  PhD Urban Borštnik  Natural sciences and mathematics  Researcher  2009 - 2012  36 
2.  25434  PhD Urban Bren  Natural sciences and mathematics  Researcher  2011 - 2012  339 
3.  28560  PhD Nejc Carl  Natural sciences and mathematics  Researcher  2009 - 2012  23 
4.  02287  PhD Milan Hodošček  Natural sciences and mathematics  Researcher  2009 - 2012  279 
5.  06734  PhD Dušanka Janežič  Natural sciences and mathematics  Researcher  2009 - 2012  495 
6.  25435  PhD Janez Konc  Natural sciences and mathematics  Researcher  2009 - 2010  228 
7.  13627  PhD Franci Merzel  Natural sciences and mathematics  Researcher  2009 - 2012  199 
8.  19037  PhD Matej Praprotnik  Natural sciences and mathematics  Head  2009 - 2012  317 
9.  30286  PhD Blaž Vehar  Natural sciences and mathematics  Technical associate  2009  17 
10.  26516  PhD Jernej Zidar  Natural sciences and mathematics  Junior researcher  2009  26 
Organisations (1)
no. Code Research organisation City Registration number No. of publications
1.  0104  National Institute of Chemistry  Ljubljana  5051592000  20,965 
Significance for science
The relation between atomistic structure and material properties and function is a basic concern of modern soft matter science. This implies a thorough understanding on many length and correspondingly time scales ranging from atomic to macroscopic. At this point computer simulations are playing an increasingly important, if not the central role. Traditionally simulations have been separated in two main groups, namely, into simplified models to deal with generic or universal aspects of molecular systems and those employing classical force field simulations with all atomistic detail. Still characteristic problems, which require huge systems and/or long times in combination with a chemistry specific model, cannot be tackled by these methods alone. More recently with the development of scale-bridging or multiscale simulation techniques, these different approaches have been combined into an emerging rather powerful tool, which will enable us to reach the experimental length and time scales using computer simulation.
Significance for the country
The purpose of the project was to develop, improve, and apply the multiscale methods for molecular dynamics simulations in the study of biologically and technologically relevant soft matter systems. The project focused on specific problems in the research area, on code development and application. An important component of the project will involve close collaboration with the leading laboratories in this research field. We collaborate also with groups from the IJS, MF, FMF, BF, FF, FRI ( UL), PU. We have introduced a field of multiscale molecular dynamics simulation of soft matter and molecular liquids to Slovenia. The multiscale modeling and simulation is a very hot topic within computational physics/chemistry. The active participation of slovenian researchers in this field, which was made possible by this project, is therefore of animportance for the development of computational science in Slovenia. Newly developed methods for computer simulations of soft matter and molecular liquids are used to teaching and science popularization. Members of project team also supervised several graduate students in the field of physics, computer science, pharmacy and chemistry. The results of this research were published in international scientific journals and were presented at international scientific meetings. With our scientific quality and other international activity, i.e., invited lectures at scientific meetings and collaborations with top international groups in the field we increase our country's international recognition as well as sustain and enhance its national identity.
Most important scientific results Annual report 2009, 2010, 2011, final report, complete report on dLib.si
Most important socioeconomically and culturally relevant results Annual report 2009, 2010, 2011, final report, complete report on dLib.si
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