Marco Romanelli

Deciphering Aggregation-Induced Tunable Circular Dichroism of AuBP@Ag and AuBP@Au Chiral Core–Shell Plasmonic Nanoparticles

Abstract Plasmonic nanoparticles exhibiting strong and tunable chiroptical signals have been drawing much interest recently due to their potential vast applications. A few years ago, it was shown that seed-mediated metal growth can be harnessed to make single nanoparticles intrin...

Development and Application of Computational Chemistry Methods

Computational chemistry has become an essential bridge between microscopic theory and measurable chemical behaviour [...]

Extending SHARC to Periodic Systems: A SHARC–VASPInterface for First-Principles Nonadiabatic Dynamics

Abstract Nonadiabatic effects arising from the breakdown of the Born–Oppenheimer approximation govern a wide range of photoinduced processes in molecules and materials. While trajectory surface hopping has become a standard tool for simulating excited-state dynamics in molecular...