Browsing Bergen Open Research Archive by Author "Nedrelid, Kjell"

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Design of iron(ii) spin-crossover compounds using de novo artificial evolution with fitness-function based on DommiMOE's implementation of LFMM

Nedrelid, Kjell (Master thesis, 2015-06-01)

This is a software development adding DommiMOE as a fitness-provider to the de novo artificial intelligence internally called Denoptim. The software supports stochastic conformational search, molecular dynamics, geometry ...
Numerical solution of the the time-dependent Schrödinger equation.

Nedrelid, Kjell (Master thesis, 2018-06-22)

On the atomic scale the time-dependent Schrödinger equation is used but for systems with three or more particles like the helium atom it is not possible to solve the Schrödinger equation exactly. The motivation here is to ...