Cristiana Di Valentin

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 44

Top Topics

Walled Carbon Nanotubes

Molecular Dynamics

Top Venues

ACS applied materials & interfaces

Nanomaterials (Basel, Switzerland)

The journal of physical chemistry. C, Nanomaterials and interfaces

This page only lists publications with an associated author ORCID identifier.

Publications

Aldo Ugolotti, Mirko Dolce, Cristiana Di Valentin
Vitamin C Affinity to TiO 2 Nanotubes: A Computational Study by Hybrid Density Functional Theory Calculations. Nanomaterials (Basel, Switzerland) 14 (3) (2024)
Giulia Frigerio, Edoardo Donadoni, Paulo Siani, Jacopo Vertemara, Stefano Motta, Laura Bonati, Luca De Gioia, Cristiana Di Valentin
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin α V β 3 by atomistic molecular dynamics and machine learning. Nanoscale 16 (8) (2024)
Edoardo Donadoni, Paulo Siani, Giulia Frigerio, Carolina Milani, Qiang Cui, Cristiana Di Valentin
The effect of polymer coating on nanoparticles' interaction with lipid membranes studied by coarse-grained molecular dynamics simulations. Nanoscale (2024)
Aldo Ugolotti, Mirko Dolce, Cristiana Di Valentin
Vitamin C Affinity to TiO 2 Nanotubes: A Computational Study by Hybrid Density Functional Theory Calculations. Nanomaterials (Basel, Switzerland) 14 (3) (2024)
Mona Kohantorabi, Aldo Ugolotti, Benedikt Sochor, Johannes Roessler, Michael Wagstaffe, Alexander Meinhardt, E Erik Beck, Daniel Silvan Dolling, Miguel Blanco Garcia, Marcus Creutzburg, Thomas Florian Keller, Matthias Schwartzkopf, Sarathlal Koyiloth Vayalil, Roland Thuenauer, Gabriela Guédez, Christian Löw, Gregor Ebert, Ulrike Protzer, Wolfgang Hammerschmidt, Reinhard Zeidler, Stephan V Roth, Cristiana Di Valentin, Andreas Stierle, Heshmat Noei
Light-Induced Transformation of Virus-Like Particles on TiO 2 . ACS applied materials & interfaces 16 (28) (2024)
Giulia Frigerio, Edoardo Donadoni, Paulo Siani, Jacopo Vertemara, Stefano Motta, Laura Bonati, Luca De Gioia, Cristiana Di Valentin
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin α V β 3 by atomistic molecular dynamics and machine learning. Nanoscale (2024)
Mona Kohantorabi, Aldo Ugolotti, Benedikt Sochor, Johannes Roessler, Michael Wagstaffe, Alexander Meinhardt, E Erik Beck, Daniel Silvan Dolling, Miguel Blanco Garcia, Marcus Creutzburg, Thomas Florian Keller, Matthias Schwartzkopf, Sarathlal Koyiloth Vayalil, Roland Thuenauer, Gabriela Guédez, Christian Löw, Gregor Ebert, Ulrike Protzer, Wolfgang Hammerschmidt, Reinhard Zeidler, Stephan V Roth, Cristiana Di Valentin, Andreas Stierle, Heshmat Noei
Light-Induced Transformation of Virus-Like Particles on TiO 2 . ACS applied materials & interfaces 16 (28) (2024)
Edoardo Donadoni, Paulo Siani, Giulia Frigerio, Carolina Milani, Qiang Cui, Cristiana Di Valentin
The effect of polymer coating on nanoparticles' interaction with lipid membranes studied by coarse-grained molecular dynamics simulations. Nanoscale 16 (18) (2024)
Mona Kohantorabi, Aldo Ugolotti, Benedikt Sochor, Johannes Roessler, Michael Wagstaffe, Alexander Meinhardt, E Erik Beck, Daniel Silvan Dolling, Miguel Blanco Garcia, Marcus Creutzburg, Thomas Florian Keller, Matthias Schwartzkopf, Sarathlal Koyiloth Vayalil, Roland Thuenauer, Gabriela Guédez, Christian Löw, Gregor Ebert, Ulrike Protzer, Wolfgang Hammerschmidt, Reinhard Zeidler, Stephan V Roth, Cristiana Di Valentin, Andreas Stierle, Heshmat Noei
Light-Induced Transformation of Virus-Like Particles on TiO 2 . ACS applied materials & interfaces 16 (28) (2024)
Giulia Frigerio, Edoardo Donadoni, Paulo Siani, Jacopo Vertemara, Stefano Motta, Laura Bonati, Luca De Gioia, Cristiana Di Valentin
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin α V β 3 by atomistic molecular dynamics and machine learning. Nanoscale 16 (8) (2024)
Aldo Ugolotti, Mirko Dolce, Cristiana Di Valentin
Vitamin C Affinity to TiO 2 Nanotubes: A Computational Study by Hybrid Density Functional Theory Calculations. Nanomaterials (Basel, Switzerland) 14 (3) (2024)
Mona Kohantorabi, Aldo Ugolotti, Benedikt Sochor, Johannes Roessler, Michael Wagstaffe, Alexander Meinhardt, E Erik Beck, Daniel Silvan Dolling, Miguel Blanco Garcia, Marcus Creutzburg, Thomas Florian Keller, Matthias Schwartzkopf, Sarathlal Koyiloth Vayalil, Roland Thuenauer, Gabriela Guédez, Christian Löw, Gregor Ebert, Ulrike Protzer, Wolfgang Hammerschmidt, Reinhard Zeidler, Stephan V Roth, Cristiana Di Valentin, Andreas Stierle, Heshmat Noei
Light-Induced Transformation of Virus-Like Particles on TiO 2 . ACS applied materials & interfaces (2024)
Mona Kohantorabi, Michael Wagstaffe, Marcus Creutzburg, Aldo Ugolotti, Satishkumar Kulkarni, Arno Jeromin, Tobias Krekeler, Martin Feuerherd, Alexander Herrmann, Gregor Ebert, Ulrike Protzer, Gabriela Guédez, Christian Löw, Roland Thuenauer, Christoph Schlueter, Andrei Gloskovskii, Thomas Florian Keller, Cristiana Di Valentin, Andreas Stierle, Heshmat Noei
Adsorption and Inactivation of SARS-CoV-2 on the Surface of Anatase TiO 2 (101). ACS applied materials & interfaces 15 (6) (2023)
Enrico Bianchetti, Augusto F Oliveira, Andreas C Scheinost, Cristiana Di Valentin, Gotthard Seifert
Chemistry of the Interaction and Retention of Tc VII and Tc IV Species at the Fe 3 O 4 (001) Surface. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (16) (2023)
Paulo Siani, Giulia Frigerio, Edoardo Donadoni, Cristiana Di Valentin
Modeling Zeta Potential for Nanoparticles in Solution: Water Flexibility Matters. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (19) (2023)
Mona Kohantorabi, Michael Wagstaffe, Marcus Creutzburg, Aldo Ugolotti, Satishkumar Kulkarni, Arno Jeromin, Tobias Krekeler, Martin Feuerherd, Alexander Herrmann, Gregor Ebert, Ulrike Protzer, Gabriela Guédez, Christian Löw, Roland Thuenauer, Christoph Schlueter, Andrei Gloskovskii, Thomas Florian Keller, Cristiana Di Valentin, Andreas Stierle, Heshmat Noei
Adsorption and Inactivation of SARS-CoV-2 on the Surface of Anatase TiO 2 (101). ACS applied materials & interfaces 15 (6) (2023)
Enrico Bianchetti, Daniele Perilli, Cristiana Di Valentin
Improving the Oxygen Evolution Reaction on Fe 3 O 4 (001) with Single-Atom Catalysts. ACS catalysis 13 (7) (2023)
Mona Kohantorabi, Michael Wagstaffe, Marcus Creutzburg, Aldo Ugolotti, Satishkumar Kulkarni, Arno Jeromin, Tobias Krekeler, Martin Feuerherd, Alexander Herrmann, Gregor Ebert, Ulrike Protzer, Gabriela Guédez, Christian Löw, Roland Thuenauer, Christoph Schlueter, Andrei Gloskovskii, Thomas Florian Keller, Cristiana Di Valentin, Andreas Stierle, Heshmat Noei
Adsorption and Inactivation of SARS-CoV-2 on the Surface of Anatase TiO 2 (101). ACS applied materials & interfaces 15 (6) (2023)
Enrico Bianchetti, Augusto F Oliveira, Andreas C Scheinost, Cristiana Di Valentin, Gotthard Seifert
Chemistry of the Interaction and Retention of Tc VII and Tc IV Species at the Fe 3 O 4 (001) Surface. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (16) (2023)
Edoardo Donadoni, Giulia Frigerio, Paulo Siani, Stefano Motta, Jacopo Vertemara, Luca De Gioia, Laura Bonati, Cristiana Di Valentin
Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells. ACS biomaterials science & engineering (2023)
Enrico Bianchetti, Augusto F Oliveira, Andreas C Scheinost, Cristiana Di Valentin, Gotthard Seifert
Chemistry of the Interaction and Retention of Tc VII and Tc IV Species at the Fe 3 O 4 (001) Surface. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (16) (2023)
Mona Kohantorabi, Michael Wagstaffe, Marcus Creutzburg, Aldo Ugolotti, Satishkumar Kulkarni, Arno Jeromin, Tobias Krekeler, Martin Feuerherd, Alexander Herrmann, Gregor Ebert, Ulrike Protzer, Gabriela Guédez, Christian Löw, Roland Thuenauer, Christoph Schlueter, Andrei Gloskovskii, Thomas Florian Keller, Cristiana Di Valentin, Andreas Stierle, Heshmat Noei
Adsorption and Inactivation of SARS-CoV-2 on the Surface of Anatase TiO 2 (101). ACS applied materials & interfaces (2023)
Stefano Motta, Paulo Siani, Edoardo Donadoni, Giulia Frigerio, Laura Bonati, Cristiana Di Valentin
Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles. Nanoscale (2023)
Enrico Bianchetti, Cristiana Di Valentin
Effect of Surface Functionalization on the Magnetization of Fe 3 O 4 Nanoparticles by Hybrid Density Functional Theory Calculations. The journal of physical chemistry letters 13 (40) (2022)
Edoardo Donadoni, Paulo Siani, Giulia Frigerio, Cristiana Di Valentin
Multi-scale modeling of folic acid-functionalized TiO 2 nanoparticles for active targeting of tumor cells. Nanoscale 14 (33) (2022)
Andrea Casotto, Giovanni Drera, Daniele Perilli, Sonia Freddi, Stefania Pagliara, Michele Zanotti, Luca Schio, Alberto Verdini, Luca Floreano, Cristiana Di Valentin, Luigi Sangaletti
π-Orbital mediated charge transfer channels in a monolayer Gr-NiPc heterointerface unveiled by soft X-ray electron spectroscopies and DFT calculations. Nanoscale 14 (36) (2022)
Sonia Freddi, Daniele Perilli, Luca Vaghi, Mauro Monti, Antonio Papagni, Cristiana Di Valentin, Luigi Sangaletti
Pushing Down the Limit of NH 3 Detection of Graphene-Based Chemiresistive Sensors through Functionalization by Thermally Activated Tetrazoles Dimerization. ACS nano 16 (7) (2022)
Paulo Siani, Cristiana Di Valentin
Effect of dopamine-functionalization, charge and pH on protein corona formation around TiO 2 nanoparticles. Nanoscale 14 (13) (2022)
Hongsheng Liu, Paulo Siani, Enrico Bianchetti, Jijun Zhao, Cristiana Di Valentin
Multiscale simulations of the hydration shells surrounding spherical Fe3O4 nanoparticles and effect on magnetic properties. Nanoscale 13 (20) (2021)
Aldo Ugolotti, Cristiana Di Valentin
Ab-Initio Spectroscopic Characterization of Melem-Based Graphitic Carbon Nitride Polymorphs. Nanomaterials (Basel, Switzerland) 11 (7) (2021)
Paulo Siani, Stefano Motta, Lorenzo Ferraro, Asmus Ougaard Dohn, Cristiana Di Valentin
Dopamine-Decorated TiO2 Nanoparticles in Water: A QM/MM vs an MM Description. Journal of chemical theory and computation 16 (10) (2020)
Daniele Perilli, Sara Fiori, Mirco Panighel, Hongsheng Liu, Cinzia Cepek, Maria Peressi, Giovanni Comelli, Cristina Africh, Cristiana Di Valentin
Mechanism of CO Intercalation through the Graphene/Ni(111) Interface and Effect of Doping. The journal of physical chemistry letters 11 (20) (2020)
Martina Datteo, Lorenzo Ferraro, Gotthard Seifert, Cristiana Di Valentin
TETT-functionalized TiO 2 nanoparticles for DOX loading: a quantum mechanical study at the atomic scale. Nanoscale advances 2 (7) (2020)
Daniele Perilli, Daniele Selli, Hongsheng Liu, Cristiana Di Valentin
Computational Electrochemistry of Water Oxidation on Metal-Doped and Metal-Supported Defective h-BN. ChemSusChem 12 (9) (2019)
Hongsheng Liu, Gotthard Seifert, Cristiana Di Valentin
An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT. The Journal of chemical physics 150 (9) (2019)
Moloud Kaviani, Cristiana Di Valentin
Rational design of nanosystems for simultaneous drug delivery and photodynamic therapy by quantum mechanical modeling. Nanoscale 11 (33) (2019)
Asmus Ougaard Dohn, Daniele Selli, Gianluca Fazio, Lorenzo Ferraro, Jens Jørgen Mortensen, Bartolomeo Civalleri, Cristiana Di Valentin
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard⁻Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles. Molecules (Basel, Switzerland) 23 (11) (2018)
Hongsheng Liu, Paolo Lazzaroni, Cristiana Di Valentin
Nature of Excitons in Bidimensional WSe₂ by Hybrid Density Functional Theory Calculations. Nanomaterials (Basel, Switzerland) 8 (7) (2018)
Martina Datteo, Hongsheng Liu, Cristiana Di Valentin
Water on Graphene-Coated TiO2: Role of Atomic Vacancies. ACS applied materials & interfaces 10 (6) (2018)
Gianluca Fazio, Daniele Selli, Lorenzo Ferraro, Gotthard Seifert, Cristiana Di Valentin
Curved TiO2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects. ACS applied materials & interfaces 10 (35) (2018)
Marco Smerieri, Igor Píš, Lara Ferrighi, Silvia Nappini, Angelique Lusuan, Luca Vattuone, Luca Vaghi, Antonio Papagni, Elena Magnano, Cristiana Di Valentin, Federica Bondino, Letizia Savio
Synthesis of corrugated C-based nanostructures by Br-corannulene oligomerization. Physical chemistry chemical physics : PCCP 20 (41) (2018)
Daniele Selli, Gianluca Fazio, Gotthard Seifert, Cristiana Di Valentin
Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based Method. Journal of chemical theory and computation 13 (8) (2017)
Lara Ferrighi, Daniele Perilli, Daniele Selli, Cristiana Di Valentin
Water at the Interface Between Defective Graphene and Cu or Pt (111) Surfaces. ACS applied materials & interfaces 9 (35) (2017)
Elisa Albanese, Cristiana Di Valentin, Gianfranco Pacchioni
H2O Adsorption on WO3 and WO3-x (001) Surfaces. ACS applied materials & interfaces 9 (27) (2017)