Blar i NTNU Open på forfatter "Cabriolu, Raffaela"
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A New Initialization Method for RETIS
Frydenlund, Jan Gustav (Master thesis, 2022)Monte Carlo-simuleringer (MC) i banerommet (eng. path space) er langt mer beregningskrevende enn MC-simuleringer i konfigurasjonsrommet fordi molekylærdynamikkbaner må genereres hvert MC-steg. Hvis initialtilstanden i ... -
Foundations and latest advances in replica exchange transition interface sampling
Cabriolu, Raffaela; Skjelbred, Kristin Marie; Bolhuis, Peter G; van Erp, Titus Sebastiaan (Journal article; Peer reviewed, 2017)Nearly 20 years ago transition path sampling (TPS) emerged as an alternative method to free energy based approaches for the study of rare events such as nucleation, protein folding, chemical reactions, and phase transitions. ... -
Onsager-symmetry obeyed in athermal mesoscopic systems: Two-phase flow in porous media
Winkler, Mathias; Gjennestad, Magnus Aashammer; Bedeaux, Dick; Kjelstrup, Signe; Cabriolu, Raffaela; Hansen, Alex (Peer reviewed; Journal article, 2020)We compute the fluid flow time correlation functions of incompressible, immiscible two-phase flow in porous media using a 2D network model. Given a properly chosen representative elementary volume, the flow rate distributions ... -
Relaxation process of Yukawa glassy system
Bertheussen, Amund (Master thesis, 2022)Relaksasjonsprosessen til et glass-system er av høy interesse i mange industrier, blant annet farmasi, kosmetikk, mat og bygge bransjen. Når et glass formes øker som regel viskositeten og dynamikken til systemet blir mye ... -
The role of pressure and defects in the wurtzite to rock salt transition in cadmium selenide
Lervik, Anders; Svenum, Ingeborg-Helene; Wang, Zhaohui; Cabriolu, Raffaela; Riccardi, Enrico; Andersson, Stefan; van Erp, Titus Sebastiaan (Peer reviewed; Journal article, 2022)Using molecular dynamics and path sampling techniques we investigated the effect of pressure and defects in the wurtzite to rock salt transition in cadmium selenide (CdSe). In the pressure range 2–10 GPa, rate constants ... -
Teaching complex molecular simulation algorithms: Using self‐evaluation to tailor web‐based exercises at an individual level
Dahlen, Oda; Lervik, Anders; Aarøen, Ola; Cabriolu, Raffaela; Lyng, Reidar; van Erp, Titus Sebastiaan (Peer reviewed; Journal article, 2020)It is quite challenging to learn complex mathematical algorithms used in molecular simulations, stressing the importance of using the most advantageous teaching methods. Ideally, individuals should learn at their pace and ... -
Thermal conductivity of low-dimensional systems
Hjelt, Arne Kristian Kramprud (Master thesis, 2023)