000189854 001__ 189854
000189854 005__ 20180501110016.0
000189854 0247_ $$2doi$$a10.5075/epfl-thesis-5918
000189854 02470 $$2urn$$aurn:nbn:ch:bel-epfl-thesis5918-3
000189854 02471 $$2nebis$$a9971120
000189854 037__ $$aTHESIS_LIB
000189854 041__ $$aeng
000189854 088__ $$a5918
000189854 245__ $$aAb Initio Simulations of Activated Processes$$bApplication to CO₂ Reactions and a Photovoltaic Material
000189854 269__ $$a2013
000189854 260__ $$aLausanne$$bEPFL$$c2013
000189854 336__ $$aTheses
000189854 502__ $$aH.M. Rønnow (président), R. Car, C. Dellago, C. Pignedoli
000189854 6531_ $$aactivated process
000189854 6531_ $$achemical reaction
000189854 6531_ $$aab initio molecular dynamics
000189854 6531_ $$aenhanced sampling
000189854 6531_ $$ametadynamics
000189854 6531_ $$acarbon dioxide
000189854 6531_ $$amonoethanolamine
000189854 6531_ $$awater
000189854 6531_ $$acadmium telluride
000189854 6531_ $$aatom diffusion in solids
000189854 6531_ $$aimpurities in semiconductors
000189854 6531_ $$astructural clustering
000189854 6531_ $$acollective variables
000189854 6531_ $$apermutation symmetry
000189854 700__ $$0247064$$aGallet, Grégoire$$g166145
000189854 720_2 $$0244713$$aAndreoni, Wanda$$edir.$$g125861
000189854 720_2 $$0247065$$aPietrucci, Fabio$$edir.$$g192195
000189854 8564_ $$s28185654$$uhttps://infoscience.epfl.ch/record/189854/files/EPFL_TH5918.pdf$$yn/a$$zn/a
000189854 909CO $$ooai:infoscience.tind.io:189854$$pthesis-bn2018$$pDOI2$$pDOI$$pthesis
000189854 919__ $$aCECAM
000189854 918__ $$aSB$$dEDPY
000189854 917Z8 $$x108898
000189854 917Z8 $$x108898
000189854 920__ $$a2013-10-25$$b2013
000189854 973__ $$aEPFL$$sPUBLISHED
000189854 970__ $$a5918/THESES
000189854 980__ $$aTHESIS