Blar i Institutt for fysikk på forfatter "van Erp, Titus Sebastiaan"
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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 ... -
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 ...