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Just published in JOSS: 'HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python' doi.org/10.21105/joss.…

[ASAP] HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multiscale Simulations of Soft Matter ift.tt/fdzPpro

Really cool😎 experience having our code reviewed by JOSS. Definitely recommend! #compchem #reproducibleScience #openSource Hylleraas Centre for Quantum Molecular Sciences

🎉Ecstatic🥳 to present our HylleraasMD a code! Kudos to Morten Ledum for leading the effort💪 behind this work! #compchem💻🧑‍🔬👨‍💻 Hylleraas Centre for Quantum Molecular Sciences Universitetet i Oslo MN Faculty: Research Kjemisk institutt

In this paper, we extend work from my P.h.D.🎓 on energy-conservative and alias-free particle-field models from atoms to molecules, enabling efficient large-scale coarse-grained simulations of complex soft matter and biological systems. pubs.aip.org/aip/jcp/articl…

One day, crunching🧮 numbers inside a gloomy office. The next day, participating at the annual Hylleraas Centre for Quantum Molecular Sciences meeting at Sommarøy ArcticHotel, experiencing the latest and greatest in #compchem from young aspiring🤩 chemist at Universitetet i Oslo and UiT Norges arktiske universitet! So inspiring☺️