Conferences
The Chemist's Interactions Seminar Series (Cristiana Di Valentin)
Invited seminar by Cristiana Di Valentin
Title: "ARCHITECTING GRAPHENE INTERFACES AND FUNCTIONALIZED NANOPARTICLES FOR NANOTECHNOLOGY AND BIONANOSCIENCE"
CENIDE & WIN Seminar Series (Cristiana Di Valentin)
Invited 2D Mature seminar by Cristiana Di Valentin
Title: "Interfacing doped graphene with metal/metal oxide surfaces or molecular layers"
INORG25 (Cristiana Di Valentin)
Ad hoc oral presentation by Cristiana Di Valentin
Inorganic Chemistry Division - Italian Chemical Society
Session on Nanomaterials and MOFs
"DESIGN OF GRAPHENE INTERFACES AND FUNCTIONALIZED NANOPARTICLES FOR NANOTECHNOLOGY AND BIONANOSCIENCE"
Psik Conference 2025 (Cristiana Di Valentin)
Invited oral presentation by Cristiana Di Valentin
Session: Nanoscale materials (2D, 1D, 0D) and related phenomena
Title: "ARCHITECTING GRAPHENE INTERFACES AND FUNCTIONALIZED NANOPARTICLES FOR NANOTECHNOLOGY AND BIONANOSCIENCE"
WATOC 2025 (Cristiana Di Valentin)
Invited oral presentation by Cristiana Di Valentin
Session D5 BIOSYSTEMS Bio/nanosystems
"Modeling complex nanosystems for drug delivery, targeted therapy and imaging."
EuChemS CompChem 2025 (Edoardo Donadoni)
Poster presentation by Edoardo Donadoni:
"Optimizing polyethylene glycol coating for stealth and biocompatible nanodiamonds"

74th Lindau Nobel Laureate Meeting in Chemistry (Giulia Frigerio)
Oral presentation by Giulia Frigerio:
"Decoding Molecular Interactions in Nanomedicine With Molecular Dynamics and Neural Networks"
10th Nanotech France 2025 International Conference and Exhibition (Paulo Siani)
Oral presentation by Paulo Siani:
"Molecular Dynamics in Nanomedicine: From Molecular Insights to Functional Design"
7th International Conference on Applied Physics, Simulation and Computing (APSAC) (Paulo Siani)
Invited oral presentation by Paulo Siani:
"Molecular Dynamics in Nanomedicine: Guiding In Silico Design of Functional Bio-Nanomaterials"
#NanoSeries2025 (Paulo Siani)
Oral presentation by Paulo Siani:
"Molecular Dynamics in Nanomedicine: From Molecular Insights to Functional Design"
Graphene2025 (Daniele Perilli)
Oral presentation by Daniele Perilli:
"Design of Highly Responsive Room-Temperature Gas Sensors through Organic Layer-Graphene Interfaces"
MRS Spring Meeting 2025 (Edoardo Donadoni, Giulia Frigerio)
Oral presentation by Edoardo Donadoni:
"The impact of polymer coating on nanoparticles interaction with lipid membranes explored by coarse-grained molecular dynamics simulations".
Oral presentation by Giulia Frigerio:
"Mechanism of ligand-activated nanoparticles binding to target cell-surface receptors by all-atom molecular dynamics".
6th Manchester Multiscale Conference (Edoardo Donadoni)
Oral presentation by Edoardo Donadoni:
"The impact of polymer coating on nanoparticles interaction with lipid membranes explored by coarse-grained molecular dynamics simulations"
Poster presentation by Edoardo Donadoni:
"Characterizing graphene biointeractions: coarse-grained modeling of ion binding, small molecule adsorption and protein corona formation"
Cineca HPC & AI User forum/User days (Giulia Frigerio)
Oral contribution by Giulia Frigerio:
"Unveiling the drug delivery mechanism of graphene oxide dots at the atomic scale"
AMYC BIOMED 2024 (Edoardo Donadoni)
Oral contribution by Edoardo Donadoni:
"The impact of polymer coating on nanoparticles interaction with lipid membranes explored by coarse-grained molecular dynamics simulations".
EMRS 2024 Fall Meeting (Daniele Perilli)
Oral contribution by Daniele Perilli:
"Design of novel graphene-based gas sensors by non-covalent functionalization: from first-principles modelling to proof-of-concept experiments".
Recent Trends in Computational Chemistry (Cristiana Di Valentin)
Invited talk by Cristiana Di Valentin:
"Computational modeling of complex nanosystems for drug delivery, targeting and imaging"
NanoSEA 2024 (Daniele Perilli)
Oral contribution by Daniele Perilli:
"Design of Highly Responsive Room Temperature Chemiresistor-Based Sensors via Non-Covalent Functionalization of Graphene"
CIMTEC24 - Materials in an explosively growing informatics world (Cristiana Di Valentin)
Invited talk by Cristiana Di Valentin:
"Architecting graphene interfaces with metal surfaces or molecular layers for tailor-made nanotechnology"
Research and Nanomedicine 2024 (Giulia Frigerio)
Oral contribution by Giulia Frigerio:
"Mechanism of a nanodevice binding to its target protein by atomistic molecular dynamics: the case of RGD-conjugated PEGylated TiO2 nanoparticles binding to integrins αVβ3"
2024 ISQBP President's Meeting (Paulo Siani)
Oral contribution by Paulo Siani:
"Mechanistic insight from molecular dynamics simulations in nanomedicine research"
NANOMIB Conference 2024 (Paulo Siani, Edoardo Donadoni)
Oral contribution by Paulo Siani:
"Mechanistic insight from molecular dynamics simulations in nanomedicine research"
Poster contribution by Edoardo Donadoni:
"Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells"

Dalian University of Technology (Daniele Perilli)
Invited seminar by Daniele Perilli:
"Combining theoretical modeling and experiments for the design of 2D materials for energy and sensing applications".
NMDC 2023 (Cristiana Di Valentin)
Invited oral presentation by Cristiana Di Valentin:
"Computational modeling of complex nanosystems for drug delivery, targeting and imaging".

NanoInnovation 2023 (Cristiana Di Valentin)
Invited oral presentation by Cristiana Di Valentin:
"Modeling of complex nanosystems for drug delivery, targeted therapy and imaging".
MRS Fall Meeting 2023 (Giulia Frigerio)
Oral presentation by Giulia Frigerio:
"Molecular dynamics simulations of cRGD-conjugated PEGylated TiO2 nanoparticles for targeted photodynamic therapy".
E-MRS Fall Meeting 2023 (Chiara Daldossi)
Oral contribution by Chiara Daldossi:
"Tuning the electron injection mechanism by changing the adsorption mode: the case study of Alizarin on TiO2".
CMD30 FisMat (Daniele Perilli)
Oral contribution by Daniele Perilli:
"Combining theoretical modeling and experiments to characterize graphene-based nanosystems".
ECOSS 36 (Cristiana Di Valentin)
Invited plenary talk by Cristiana Di Valentin:
"Architecturing Graphene Interfaces and Functionalized Nanoparticles for Nanotechnology and Bionanoscience".

EuChemS CompChem 2023 (Edoardo Donadoni, Giulia Frigerio)
Oral contribution by Edoardo Donadoni:
"Multi-scale modeling of folic acid-functionalized TiO2 nanoparticles for active targeting of tumor cells"

Poster contribution by Giulia Frigerio:
"Molecular dynamics simulations of cRGD-conjugated pegylated TiO2 nanoparticles for targeted photodynamic therapy"



