Room temperature ionic liquids (RTILs) and biomolecules are both paradigmatic classes of
organic molecules, each consisting of a prodigious number of distinct chemical species …

The combination of amino acids in their deprotonated and thus anionic form with a choline
cation gives origin to a new and potentially important class of organic ionic compounds. A …

Explicit or implicit expressions of potential energy surfaces (PES) represent the basis of our
ability to simulate condensed matter systems, possibly understanding and sometimes …

To facilitate the development of new materials for use in batteries, it is necessary to develop
ab initio full-electron computational techniques for modeling potential new battery materials …