Newsletters
Through the newsletters, the SCM team will keep you posted on new and upcoming functionality, interesting applications, upcoming events and other relevant news.
April 2022 Newsletter
- New AMS &Science 2022 webinar series
- April 26 – Adri van Duin: ReaxFF concepts, applications, and future directions
- May 3 – Tomáš Trnka: Molecular Dynamics basics and considerations (FAQ)
- May 5 – Matti Hellstrom: Parametrize ReaxFF and DFTB with ParAMS
- May 19 – Nestor Aguirre: Automatic reaction pathways with AMS-EON
- May 24 – Hannes Jónsson: Long timescale dynamics and PES exploration
- May 26 – Chiara Cappelli & Franco Egidi: Polarizable embedding for spectroscopy
- New 2-3 minute video tip of the week (subscribe to our YouTube channel!)
- Research Highlights
- Automated workflow: accurate redox potentials
- Understanding bio-composites with ReaxFF
- Tips fast & accurate qsGW calculations (IP, EA)
- Methane activation on MoO3(010)
- BCL method to predict DSSC dye efficiency
- Benchmark study 119Sn NMR shifts
- Thermal & mechanical properties of Ni-Cr alloys
- Thermochemical heat storage: MgCl2 hydration
