Newsletters

Through the newsletters, the SCM team will keep you posted on new and upcoming functionality, interesting applications, upcoming events and other relevant news.

Webinar Atomistic Modeling Materials

July 2019 Newsletter

Research highlights

Screening polymers for Li ion batteries
Biomimetic anolytes for redox flow batteries
Antibiotics delivery by gold nanoparticles

Advanced tutorials

Events

Workshops with our new resellers in Korea & Taiwan; workshop in Singapore
Webinars: Ligand-field DFT; Real-life applications chemistry & materials modeling (check our Youtube channel)

Multi-scale reactor modeling

February 2019 Newsletter

3 New EU Projects

ReaxPro: with industry and top institutes, SCM coordinates the development of a multi-scale reactive materials modeling platform
MaLeR: matti Hellström will improve ReaxFF with machine learning potentials
AutoCheMo: 4 PhD students will automate and improve ReaxFF parameterization.

Advanced tutorials:

pEDA-NOCV to analyze molecule-surface interactions
non-linear optical properties on nanoparticles: Plasmon-Enhanced Two-Photon Absorption
Accelerating bond breaking with Collective Variable-driven HyperDynamics

crystal orbitals in lead perovskites

December 2018 Newsletter

Tutorial: ReaxFF parameterization (+ GUI support)
Workshops: ReaxFF parameterization & acceleration
Tutorial: COOP analysis on perovskites
Highlight: Boron Nitride Nucleation through Chemical Vapor Deposition
Video: demonstrating new COSMO-RS features
Feedback request: Cloud computing

Tuning_RSH_with_Solvent

September 2018 Newsletter

Highlight: Solvation-Mediated Tuning of the Range-Separated Hybrid Functional
Highlight: Prediction of cellulose solubilities in ionic liquids (COSMO-RS)
Highlight: Facile Arylic C–X Bond Activation Explained
Introducing 5-minute tool tips: importing structures (SMILES, cif)

cosmo-rs new sigma estimates

May 2018 Newsletter

ReaxFF new feature: Analyze surface reactions
COSMO-RS new features: quick sigma profiles and UNIFAC
Highlight: Chiral gold nanoparticles
Highlight: SO-HALA trends (relativistic NMR)

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Stress-strain polymers reaxff

April 2018 Newsletter

ReaxFF Tutorial: Stress/strain in epoxy polymers
ADF Tutorial: NMR splittings due to spin-spin couplings
Highlight: charge separation in organic photovoltaics

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February 2018 Newsletter

Tutorial: Generate structures for screening
Tutorial: Visualize local atomic properties
Improved COSMO-RS for ionic liquids
PhD position: optimizing QDs
Events

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Optimizing TADF emission

January 2018 Newsletter

Tutorial: Discharge voltages in LiS batteries
Tutorial: Tuning range-separated hybrids for organic electronics
Highlight: Charge transport through single molecule conductors
Upcoming events: Korea workshop, Japan nano tech, USA conferences

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December 2017 Newsletter

Tips & tricks for band gaps
Sticking coefficients with ReaxFF (request more info)
ReaxFF developer Tomáš & COSMO-RS developer Nick join SCM
Holiday closure

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