Developers Tomáš Trnka (ReaxFF) and Nick Austin (COSMO-RS) join SCM

The SCM team is very pleased to welcome Dr. Tomáš Trnka and Dr. Nick Austin per 1 September 2017, as Horizon 2020 SME innovation associates.

Tomáš is finalizing his PhD in biomolecular chemistry with Prof. Koča at the Masaryk University in Brno where he worked extensively on QM/MM and ReaxFF methods. At SCM, he will be accelerating ReaxFF molecular dynamics, so that much longer timescales are accessible.

Nick also recently completed his PhD with Prof. Sahinidis at Carnegie Mellon University, working on Methodologies for computer-aided molecular and mixture design. He will be extending the COSMO-RS and COSMO-SAC capabilities in the ADF Modeling Suite to deal with much larger systems such as polymers.

We’re looking forward to offering new functionality from these two young developers, so that tougher problems can be tackled. Let us know if you have any specific requests in the area of modeling longer timescales and thermodynamic properties of large systems in solution.

Tomáš (left) and Nick (right) very happy to get started with improving ReaxFF and COSMO-RS in the ADF Modeling Suite