SCM at conferences: come talk to us at DFT2015, Psi-k, STC, and XRQTC

Come have a chat with us about ongoing developments and collaboration opportunities at one of the many conferences this fall across Europe: DFT2015, Psi-k, STC, and the New trends in Computational Chemistry for Industry Applications workshop.

Job opening(s): Scientific Software Developer | ReaxFF / COSMO-RS / DFTB / DFT Specialist | All-round Computer Scientist

For further expansion of our activities beyond DFT software, we now create a job opening with prospect of permanent employment, for one of three possible profiles:

  1. A versatile and flexible scientific software developer.
  2. A specialist in one or more of the following: ReaxFF, COSMO-RS, DFTB, DFT.
  3. An all-round computer scientist.

Cloud computing: ADF available on Crunchyard

Crunchyard has installed the ADF modeling suite on their excellent cloud computing facilities. ADF licensees can prepare jobs locally with the GUI and upload the run file on Crunchyard.

Strong AT hydrogen bonds: sp2 enhances electrostatics & covalency, no resonance-assistence

USA tour August 2015: Seminars Princeton & Pitt, Workshop GWU, ACS

In a short USA tour, Fedor Goumans and Ole Carstensen will be publicly presenting the capabilities of the ADF modeling suite at Princeton, GWU (hands-on workshop), Pitt, and the ACS meeting in Boston.

DNA/RNA transverse current sequencing: Intrinsic structural noise from neighboring bases

Highly accelerated strain-promoted azide-alkyne cycloadditions

ADF workshop in Brazil, 16-20 November

Intramolecular 6-electron photo-redox reactions

Growth Mechanism of Small Endohedral Metallofullerenes