Can shuffleboards be relevant for chemistry?
As part of our effort to boost social activities on the common areas of our department, we applied for and was granted funding for a shuffleboard. To celebrate the occasion, I wrote a guest entry on Steven’s blog where I discuss the relevance of shuffleboards in chemistry.
A Python module for learning quantum theory
I wrote this Python module in order to explore how computational aspects like visualization, numerics and interactivity may be used in learning quantum theory.
How can we make more room for creativity in science education?
I’m strongly in favour of student-creativity in higher science education, and actively try to integrate it in my own teaching. In this guest entry on Steven’s blog I and Wanja Paulsen share some ideas on how modelling and simulation, augmented with ouur learning assistant program, may open new possibilities in our teaching.
My PhD thesis: Local correlation methods for infinite systems
https://www.duo.uio.no/handle/10852/85856
Version 9.1 provides minor design changes, new features, and closes multiple issues.
What’s New in Hydejack 9.1?
Smooth potential-energy surfaces in fragmentation-based local correlation methods for periodic systems
Local approximations facilitate the application of post-Hartree–Fock methods in the condensed phase, but simultaneously introduce errors leading to discontinuous potential-energy surfaces. In this work, we explore how these discontinuities arise in periodic systems, their implications, and possible ways of controlling them. In addition, we present a fully periodic Divide-Expand-Consolidate second-order Møller–Plesset approach using an attenuated resolution-of-the-identity approximation for the electron repulsion integrals and a convenient class to handle translation-symmetric tensors in block-Toeplitz format.
The extended DEC framework with periodic density fitting
https://github.com/audunsh/XDEC
Version 9 is the most complete version of Hydejack yet. Modernized design, big headlines, and big new features.
Version 9 is the most complete version of Hydejack yet.
A creative learning environment at Dalton
Student-driven tutoring service focused on computations
