Within this project we exploit the role of chemistry in shaping star and planet forming regions. Through state-of-the art three-dimensional MHD simulations, we study the gas evolution in the prestellar gas, the nursery of stars, with the aim to understand the initial conditions of this complex process. Chemistry in pre- and protostellar regions is fundamental to answer questions related to the composition of planetary atmospheres, the raise of chemical complexity, and the origin of life. 

The theoretical studies we perform through our state-of-the art simulations require a robust basis for comparison and validation. Over the years we built a large network of collaborators to work on single-dish and interferometric data, which are then compared with our post-processed MHD simulations. I'm one of the PI of the ALMA Large Program UNIC (Unveiling the initial conditions of high-mass star formation).

Astrochemical modelling provides important hints on the evolution of key molecules in the interstellar medium. However, without the knowledge of reaction rates, thermodynamical quantities, energetics, which represent the fundamental blocks of kinetic models it would be impossible to understand the intricate nature of complex organic molecules formation or gas-dust interaction. Through ab-initio calculations, we obtain fundamental quantities (e.g. diffusion energies, binding energies, minimum energy paths) for specific molecules with particular focus on sulfur-bearing compounds and polycyclic aromatic hydrocarbons (PAHs).

Cosmic rays represent the only source of ionization in the dense and cold regions of the interstellar medium where stars form. Being the main driver of ion-neutral reactions, the knowledge of the cosmic ray ionization rate per hydrogen molecule, is key. Cosmic rays are also important to understand how gas couples with magnetic fields and affects the properties of stars and discs. Within this project we perform simulations including cosmic ray propagation, and employ analytical prescriptions to retrieve the cosmic ray ionization rate from observations.

In the last years the group started to develop the Cosmic Dust Experiment (CoDE), in collaboration with the University of Concepcion. This experiment aims to trap nanoparticle (dust analogs) to study size-dependent adsorption/desorption processes, and reactivity catalysed by dust grains.  

The Krome package has been developed in 2012, made it public in 2014, and since then employed in several three-dimensional simulations to evolve the chemistry and microphysics (cooling, heating, photons). The development of new tools for astrochemistry is one of the important goals of the group. (Krome git page: https://bitbucket.org/tgrassi/krome/src/master/)