2021

New paper on ensemble invariance in small systems

The paper entitled Small Size Effects in Open and Closed Systems: What Can We Learn from Ideal Gases about Systems with Interacting Particles? has been published in the Journal of Chemical Physics. Small systems have higher surface area-to-volume ratios than macroscopic systems. One consequence of this is that properties of small systems can be dependent on the …

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Ailo Aasen receives the EFCE Excellence award!

The EFCE Excellence award in Thermodynamics and Transport properties is awarded every second year to an excellent PhD thesis. In 2021, it was awarded to my former PhD student and present collaborator, Dr. Ailo Aasen. The judging committee of EFCE’s Thermodynamics and Transport Properties Working Party was highly complementary of the technical quality of Aasen’s work, which …

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New paper on the entropy production in shock waves

The paper entitled Theory and simulation of shock waves: Entropy production and energy conversion has been published in Phys. Rev. E. In the paper, we have investigated shock waves by use of nonequilibrium thermodynamics and nonequilibrium molecular dynamics (NEMD) simulations. We have also considered a shock wave as a surface of discontinuity and computed the entropy production …

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New paper on extracting chemical potential differences in the macroscopic limit from fluctuations in small systems

The paper entitled Chemical Potential Differences in the Macroscopic Limit from Fluctuations in Small Systems has been accepted for publication in the Journal of Chemical Information and Modeling. The paper is the first in the PhD of Vilde Bråten, and written also together with Ass. Prof. S. K. Schnell. The paper presents a new method for computing chemical …

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