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Riccardo Petraglia

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Riccardo Petraglia

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Crystallization and Organic Field-Effect Transistor Performance of a Hydrogen-Bonded Quaterthiophene

Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

i-PI 2.0: A universal force engine for advanced molecular simulations

Photochromic Torsional Switch (PTS): a Light-Driven Actuator for the Dynamic Tuning of π-Conjugation Extension

Development of Accurate and Efficient Electronic Structure Approaches for the Description of Organic Systems

Beyond Static Structures: Putting Forth REMD as a Tool to Solve Problems in Computational Organic Chemistry

Exploiting Dispersion-driven Aggregators as a Route to New One-dimensional Organic Nanowires

A fast charge-dependent atom-pairwise dispersion correction for DFTB3

Functional carbon nanosheets prepared from hexayne amphiphile monolayers at room temperature

A Caveat on SCC-DFTB and Non-covalent Interactions Involving Sulfur Atoms