Disputation: Sigbjørn Løland Bore
Msc. Sigbjørn Løland Bore at the Department of Chemistry, Faculty of Mathematics and Natural Sciences, is defending the thesis "Advances in the Hybrid Particle-Field Approach: Towards Biological Systems" for the degree of Philosophiae Doctor.
The University of Oslo is closed at the moment due to the Corona Pandemic. The Disputation will therefore be live streamed using Zoom.
The Chair of Defense will lead the Disputation and the Defense technician will solve technical issues.
Ex auditorio questions: The Chair of Defense will invite the audience to ex auditorio questions. These can be asked orally, by clicking "Participants - Raise hand" in the Zoom menu. The Zoom-host will grant you to speak in the meeting.
Order the Dissertation as PDF using this email address (with name of the Candidate): firstname.lastname@example.org
23rd. of April 10:15 AM, Zoom
Title of the lecture is:
"Principles of Monte Carlo Simulations”
Doktorgradsavhandlingens hovedmål var å videreutvikle en datasimuleringsmetode til å også omfatte biologiske systemer. Hovedresultatet av arbeidet er nye metoder og programvare som lar oss beskrive elektromagnetiske krefter og systemer under ytre trykk, samt nye modeller for elektrisk ladde lipider og proteiner. Samlet utgjør arbeidet et viktig skritt mot realistiske simuleringer av biologiske systemer i stor skala.
Computational chemistry complement experiments by allowing us to study chemical phenomena on a molecular level using computers as virtual laboratories. A particularly challenging, and important, class of systems are mesoscale biological systems, including viruses, cells and microorganisms. They are on human scale very small, but for computers very large as they involve many billions of atoms. To study such systems, coarse-grained simulations, which use simplified models for molecules to reduce the amount of computation, are well adapted. My thesis is on one variant of such methods, called Hybrid particle-field molecular dynamics.
Hybrid particle-field molecular dynamics has predominantly been used to study simple polymers. The extension to more complex systems, such as biological systems, requires further method development and new models. In my thesis, I develop new methodology and software capable of representing electrostatics and constant-pressure simulations, new models for proteins and charged lipids, as well as applications of these models. The work contained in this thesis thus provides key steps towards large-scale realistic representations of biological systems.