Bartolomeo Civalleri

Full Professor

University of Turin

Italy

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About

Bartolomeo Civalleri is a Full Professor at the University of Turin, Italy. His research focuses on computational material science, specifically in areas such as metal-organic frameworks, photodynamic therapy, and solid-state physics. Recent publications include work on DFT calculations, selective gas adsorption, and the properties of nanosystems. His contributions significantly enhance the understanding of material properties and their applications in various fields.

Articles (17)

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2025

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2025

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2024

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2024

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2024

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2024

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2024

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2023

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2023

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2023

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2022

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2022

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2022

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2022

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2022

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2021

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2021

Collaborators (15)

Alessandro Erba

Università degli Studi di Torino

ITALY

Bartolomeo Civalleri

Research Interests

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Articles (17)

Accelerated linear algebra for large scale DFT calculations of materials on CPU/GPU architectures with CRYSTAL

Hafnium-Based Metal–Organic Framework Nanosystems Entrapping Squaraines for Efficient NIR-Responsive Photodynamic Therapy

Spin–Lattice Relaxation and Spin–Phonon Coupling of ns1 Metal Ions at the Surface

Spin Currents via the Gauge Principle for Meta-Generalized Gradient Exchange-Correlation Functionals

Theoretical prediction of nanosizing effects and role of additives in the decomposition of Mg(BH4)2

Thiazole-Decorated PCN-700 Metal–Organic Frameworks for Diclofenac Luminescence Sensing and Adsorption in Wastewater

Selective Carbon Dioxide versus Nitrous Oxide Adsorption in Cerium(IV) Bithiazole and Bipyridyl Metal‐Organic Frameworks

A Fresh Look at a Well-Known Solid: Structure, Vibrational Spectra, and Formation Energy of NaNH2

Synthesis, Crystal Structure, and Photocatalytic Properties of Two Isoreticular Ce(IV)-MOFs with an Infinite Rod-Shaped Inorganic Building Unit

A Multimodal Study on the Unique Sensing Behavior of a Guest@Metal‐Organic Framework Material for the Detection of Volatile Acetone

CRYSTAL23: A Program for Computational Solid State Physics and Chemistry

Structure–Property Relationship of Piezoelectric Properties in Zeolitic Imidazolate Frameworks: A Computational Study

The Structure of Monomeric Hydroxo-CuII Species in Cu-CHA. A Quantitative Assessment

Defect Engineering in Metal–Organic Framework Nanocrystals: Implications for Mechanical Properties and Performance

Metal–organic frameworks properties from hybrid density functional approximations

Tunable Fluorescein-Encapsulated Zeolitic Imidazolate Framework-8 Nanoparticles for Solid-State Lighting

17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites

Collaborators (15)

Alessandro Erba

Monique van der Veen

Jin-Chong Tan

Marcello Baricco

Antti Karttunen

Enrico Salvadori

Giuliano Giambastiani

Lorenzo Maschio

Florian Kraus

Marta Corno

Jonas Gosch

Giovanni Vignale

SIMONA GALLI

Mario Chiesa

Silvia Casassa

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