ReaxFF molecular dynamics simulations on lithium sulfur batteries

Job opening EU PhD – Computational Chemistry – method/software development MOFs

Job opening: PhD (Marie Skłodowska-Curie H2020) in Theoretical and Computational Chemistry – method development and modelling of MOFs with force fields.

Job opening EU postdoc – Theoretical Physics – method/software development TDDFT

Job opening: Postdoc (Marie Curie FP7) in Theoretical Physics/Chemistry TDDFT method development – optical properties in 2D materials

Insights into the components of MAO mixtures

Surface-enhanced Raman optical activity

Christmas break: 22 December to 2 January 2015

During the Christmas break from 22 December to 2 January, only urgent requests regarding licenses, price quotes and purchase orders can be dealt with via email. Technical support will be picked up again in 2015.

Optical Properties of Silver and Gold Nanoparticles

Resonance hyper-Rayleigh scattering of molecules and metal clusters

Structural and electronic properties of uranium-encapsulated Au14

ADF Newsletter: web presentations, EU projects, conferences

Features: ADF 2014.04 subrelease (improvements in BAND), Web presentations (ReaxFF parameter optimization, multi-scale and multi-layer simulations), EU projects (current, approved for funding, and upcoming opportunities), Conferences and workshops, Research highlights