Exploration of micro-acoustic spectrometry techniques
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We present a systematic study of B-DNA flexibility in aqueous solution using long-scale molecular dynamics simulations with the two more recent versions of nucleic acids force fields (CHARMM27 and parmbsc0) using four long duplexes designed to contain seve ...
Le développement du programme informatique simulant la production de vapeur d’un four d’incinération d’ordures ménagères a été décrit dans - rapport au NEFF du 01.07.93; - Partie VIII. Des simulations systématiques ont montré que le modèle proposé pouvait ...
In this paper, we model a spatially varying channel where a source is moving along a random trajectory with respect to a fixed re- ceiver. The aim is to compute the power spectral density corre- sponding to the channel impulse response as a function of tem ...
In this project, we intend to use inkjet-based delivery of functional liquid droplets on pre-structured surfaces for the directed (self-)assembly of micro/nano-objects as experimental platform to build up and validate multi-level models of micro-droplet de ...
The ultrafast non-radiative relaxation processes between electronic states of Hg2 trapped in a cryogenic argon matrix after photon excitation at 266 nm is studied by mol. dynamics with quantum transitions (MDQT). Population transfer by matrix-induced coupl ...
A review with 184 refs. The authors review the principles of the Car-Parrinello method for ab initio mol. dynamics (AIMD) simulations by first outlining the foundations of the method based on d. functional theory, plane wave basis sets and pseudopotentials ...
This Chapter is a review of the computer simulations of surfactant systems. The focus is on monolayers and on micelles as relatively simple examples of surfactant self assemblies. During the last decade simulations of monolayers have progressed to a level ...
