Browsing by Keyword "molecular dynamics"

Title: Ab initio molecular dynamics simulation of the platinum–water interface: Insights into structure and electrocatalytic properties Author(s): Kronberg, Rasmus Date: 2018-07-31 Kemian tekniikan korkeakoulu | Master's thesis

Title: Atomistic Simulations of Solid-Liquid Interfaces Author(s): Reischl, Bernhard Date: 2013 Series: Aalto University publication series DOCTORAL DISSERTATIONS, 180/2013 School of Science | Doctoral thesis (article-based) | Defence date: 2013-11-20

Title: Coarse-grained modeling of fullerene-polymer blends using the MARTINI force field Author(s): Uusitalo, Jaakko Date: 2011 School of Science | Master's thesis

Title: A Coarse-Grained Molecular Model for Simulating Self-Healing of Bitumen Author(s): He, Liang; Zhou, Zhiguang; Ling, Fei; Alexiadis, Alessio; Van den Bergh, Wim; Cannone Falchetto, Augusto; Balieu, Romain; Zhu, Jiqing; Valentin, Jan; Kowalski, Karol J.; Zhang, Lei Date: 2022-10 Series: Applied Sciences (Switzerland), Volume 12, issue 20

Title: Coffee and Cigarettes: An Atomistic Molecular Dynamics Simulation Study of Caffeine and Nicotine Interacting with a DOPC Bilayer Author(s): Määttä, Jukka Date: 2008 Informaatio- ja luonnontieteiden tiedekunta | Bachelor's thesis

Title: Computational design of functional beta-turns for DNA interaction Author(s): Leppänen, Tuomas Date: 2010 School of Chemical Engineering | Master's thesis

Title: Computational modeling and spectral analysis of nanoscale energy transfer Author(s): Sääskilahti, Kimmo Date: 2015 Series: Aalto University publication series DOCTORAL DISSERTATIONS, 189/2015 School of Science | Doctoral thesis (article-based) | Defence date: 2015-12-03

Title: Computational Modeling Investigating the Interactions of Proteins with Fullerene-based Nanoparticles Author(s): Nedumpully Govindan, Praveen Date: 2013 Series: Aalto University publication series DOCTORAL DISSERTATIONS, 12/2013 School of Science | Doctoral thesis (monograph) | Defence date: 2013-01-15

Title: Computational modeling of cationic lipid bilayers in saline solutions Author(s): Miettinen, Markus Date: 2010 Series: TKK dissertations, 228 Aalto-yliopiston teknillinen korkeakoulu | Doctoral thesis (monograph)

Title: Computational modelling of fracture and dislocations Author(s): Szelestey, Peter Date: 2005-02-04 Series: Helsinki University of Technology Laboratory of Computational Engineering publications. Report B, 45 | Doctoral thesis (article-based)

Title: Computational modelling of lipid bilayers with sphingomyelin and sterols Author(s): Niemelä, Perttu Date: 2007-06-20 Series: Internal report / Helsinki Institute of Physics, 2007-03 | Doctoral thesis (article-based)

Title: Computational studies of silicon interfaces and amorphous silica Author(s): Alfthan, Sebastian Date: 2006-12-18 Series: Helsinki University of Technology Laboratory of Computational Engineering publications. Report B, 60 | Doctoral thesis (article-based)

Title: Driven translocation of a polymer through a narrow pore in dilute solvent Author(s): Moisio, Jaakko Date: 2014 Perustieteiden korkeakoulu | Master's thesis

Title: Dynamical Aspects of Driven and Chaperone-Assisted Polymer Translocation Author(s): Suhonen, Pauli Date: 2018 Series: Aalto University publication series DOCTORAL DISSERTATIONS, 140/2018 School of Science | Doctoral thesis (article-based) | Defence date: 2018-09-07

Title: Dynamics of Electrified Interfaces and Hydrogen Evolution from Density Functional Theory Author(s): Kronberg, Rasmus Date: 2022 Series: Aalto University publication series DOCTORAL THESES, 162/2022 School of Chemical Technology | Doctoral thesis (article-based) | Defence date: 2022-11-18

Title: Dynamics of Escape and Translocation of Biopolymers Author(s): Ikonen, Timo Date: 2012 Series: Aalto University publication series DOCTORAL DISSERTATIONS, 72 School of Science | Doctoral thesis (article-based) | Defence date: 2012-06-08

Title: Effective multipole moments for the PCP-SAFT equation of state from molecular dynamics simulations Author(s): Pieskä, Henrikki Date: 2016-09-19 Insinööritieteiden korkeakoulu | Master's thesis

Title: Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy Author(s): Brorsson, Joakim; Hashemi, Arsalan; Fan, Zheyong; Fransson, Erik; Eriksson, Fredrik; Ala-Nissila, Tapio; Krasheninnikov, Arkady V.; Komsa, Hannu Pekka; Erhart, Paul Date: 2022-02 Series: Advanced theory and simulations, articlenumber 2100217

Title: Escape Rates of Externally Confined Polymers Author(s): Mökkönen, Harri Date: 2016 Series: Aalto University publication series DOCTORAL DISSERTATIONS, 143/2016 School of Science | Doctoral thesis (article-based) | Defence date: 2016-08-19

Title: Fast convergence to equilibrium for long-chain polymer melts using a MD/continuum hybrid method Author(s): Senda, Yasuhiro; Fujio, Miyuki; Shimamura, Shuji; Blomqvist, Janne; Nieminen, Risto M. Date: 2012 Series: Journal of Chemical Physics, Volume 137, Issue 15 School of Science

Browsing by Keyword "molecular dynamics"

Browsing by Keyword "molecular dynamics"

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