Latest News

06.09.2024:

Lots of exciting research updates! Today marked the final day of our eScience-Center/Lorentz workshop, A Time Warp in Digital Chemical Discoveries.

Workshop Poster for a time warp in digital chemical discoveries

The workshop was highly productive and resulted in the initiative to create a unified code base, GUTS (Grand Unified Trajectory Sampling), for which we have now established a steering board. Additionally, Daniel Zhang, who defended his PhD thesis in May (see below), participated in the workshop and has now headed to Japan to begin his postdoc. To top it all off, the workshop concluded with fantastic news: I received a 12 million NOK (1 million Euro) grant from the Research Council of Norway to develop the next phase of the InfinityRETIS algorithm, with exciting new applications on the horizon!

30.05.2024:

Daniel successfully defended his PhD thesis titled "Asynchronous and Infinite Replica Exchange Transition Interface Sampling" and is now officially a Doctor! The opponents were Prof. Peter Bolhuis from the University of Amsterdam, Netherlands, and Prof. Carme Rovira from the University of Barcelona, Spain (who attended online). Associate Prof. Senbo Xiao from NTNU served as the administrator of the committee.

Daniel and the opponents engaged in a lively and insightful discussion on rare event modeling techniques, showcasing the depth of the research. After the defense, the committee unanimously agreed that both the thesis and the defense were deserving of the doctoral title.

Below is a photo with Daniel (3rd from the left), the committee members—Senbo (far left), Peter (second from the left), and Carme (on screen)—and myself, the supervisor (far right):

Daniel, committee, and supervisor after the defense

19.02.2024:

We got some publicity about our recent PNAS paper in the popular scientific magazine Gemini:

Gemini 2024

Also an English version of this article is out now!

27.11.2023:

Our initiative to establish a Gemini Center COSY (COmputational multi-Scale materials societY) has been approved and funded. Gemini Centers are collaborative platforms involving NTNU, SINTEF, and UiO. The COSY center aims to unite researchers from these institutions working in the field of molecular modeling.

12.07.2023:

I'm excited to announce that our proposal titled "A Time Warp in Digital Chemical Discoveries" has been selected as the winner of the eScience Center - Lorentz Competition 2023!