Computational Atomistic Fluid-dynamics & Engineering | Ricerc@Sapienza

Computational Atomistic Fluid-dynamics & Engineering

Our approach is a physical one, addressing problems in engineering and biology. In particular, we use molecular dynamics and multiscale simulations which address the various time and length scales typical of wetting, cavitation, and biophysical phenomena.

Responsabile del Gruppo

Alberto Giacomello

Professore Associato

Struttura:

DIPARTIMENTO DI INGEGNERIA MECCANICA E AEROSPAZIALE

E-mail:

alberto.giacomello@uniroma1.it

Pagina istituzionale corsi di laurea

Curriculum Sapienza

Struttura	DIPARTIMENTO DI INGEGNERIA MECCANICA E AEROSPAZIALE DIPARTIMENTO DI INGEGNERIA MECCANICA E AEROSPAZIALE
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KET	Nanotechnologies Advanced materials Big data & computing
Keywords	superhydrophobic surfaces, ion channels, Fluid dynamics, nanofluidics, nucleation, molecular dynamics, contact angle, wetting, High Performance Computing, machine learning, rare events, nanoporous materials, metal nanoclusters
Progetti principali	Hydrophobic Gating in nanochannels: understanding single channel mechanisms for designing better nanoscale sensors
Altre informazioni	Research Grants Rome Technopole, FLagship Project 6, PNRR funding total 1,197,125€ ERC Proof of Concept 2022, 150,000€ PRACE Access 2020, computational research grant, 48M CPU hours PRACE Access 2019, computational research grant, 44M CPU hours FARE 2018, Framework per l’attrazione e il rafforzamento delle eccellenze per la ricerca in Italia, ca. 300,000 € PRACE Access 2018, computational research grant, 30M CPU hours Research project of national interest (PRIN), MIUR, ca. 160,000€ ERC Starting Grant 2018, ca. 1,500,000€

Componenti del gruppo

Nome	E-mail
Antonio Tinti	antonio.tinti@uniroma1.it
Carlo Guardiani	carlo.guardiani@uniroma1.it
Flavio Costa	f.costa@uniroma1.it
Giovanni Di Muccio	giovanni.dimuccio@uniroma1.it
Manoj Settem Narasimha	manoj.settem@uniroma1.it
Emanuele Telari	emanuele.telari@uniroma1.it

Collaboratori nazionali ed internazionali

Computational methods and theory for ion channel research

Intrinsic and apparent slip at gas-enriched liquid–liquid interfaces: a molecular dynamics study

Molecular dynamics simulations suggest possible activation and deactivation pathways in the hERG channel

Tempering of Au nanoclusters: Capturing the temperature-dependent competition among structural motifs

Can One Predict a Drop Contact Angle?

Unveiling the Gating Mechanism of CRAC Channel: A Computational Study

Exploring Kv1.2 Channel Inactivation Through MD Simulations and Network Analysis

Gas-Induced Drying of Nanopores

Bubble formation in nanopores: a matter of hydrophobicity, geometry, and size

Progetti di ricerca

ERC	Descrizione
PE8_5	Fluid mechanics
PE11_14	Computational methods for materials engineering
PE3_15	Statistical physics: phase transitions, condensed matter systems, models of complex systems, interdisciplinary applications

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