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Bartolomeo Civalleri

Bartolomeo Civalleri

D-Index & Metrics

Chemistry

D-Index
62
Citations
19561
World Ranking
8696
National Ranking
228

Overview

Bartolomeo Civalleri is affiliated with the University of Turin in Italy and has contributed extensively to the fields of Materials Science and Chemistry. Their research spans primarily in Materials Chemistry and Inorganic Chemistry, with additional focus on Electronic, Optical and Magnetic Materials, Atomic and Molecular Physics, and Biomedical Engineering.

The scientist's work covers various specialized topics, including:

  • Metal-Organic Frameworks: Synthesis and Applications
  • X-ray Diffraction in Crystallography
  • Inorganic Fluorides and Related Compounds
  • Catalytic Processes in Materials Science
  • Machine Learning in Materials Science
  • Inorganic Chemistry and Materials
  • Advanced Chemical Physics Studies

Among recent publications, Civalleri has co-authored papers such as:

  • CRYSTAL23: A Program for Computational Solid State Physics and Chemistry, 2022, Journal of Chemical Theory and Computation
  • The CRYSTAL code, 1976-2020 and beyond, a long story, 2020, The Journal of Chemical Physics
  • Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering, 2020, Journal of Catalysis
  • Elucidating the Drug Release from Metal-Organic Framework Nanocomposites via In Situ Synchrotron Microspectroscopy and Theoretical Modeling, 2020, ACS Applied Materials & Interfaces
  • Defect Engineering in Metal-Organic Framework Nanocrystals: Implications for Mechanical Properties and Performance, 2022, ACS Applied Nano Materials

The frequent publication venues where Civalleri's work appears include:

  • Zenodo (CERN European Organization for Nuclear Research)
  • The Journal of Chemical Physics
  • ACS Applied Nano Materials
  • ACS Applied Materials & Interfaces
  • Journal of Chemical Theory and Computation

Civalleri collaborates often with other researchers. The most frequent co-authors are:

  • Lorenzo Donà
  • Paolo Cleto Bruzzese
  • Enrico Salvadori
  • Mario Chiesa
  • Alessandro Erba

Best Publications

  • Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory

    Loredana Valenzano;Bartolomeo Civalleri;Sachin Chavan;Silvia Bordiga

  • Quantum-mechanical condensed matter simulations with CRYSTAL

    Roberto Dovesi;Alessandro Erba;Roberto Orlando;Claudio M. Zicovich-Wilson

  • CRYSTAL14: A program for the ab initio investigation of crystalline solids

    Roberto Dovesi;Roberto Orlando;Alessandro Erba;Claudio M. Zicovich-Wilson

  • CRYSTAL : a computational tool for the ab initio study of the electronic properties of crystals

    Roberto Dovesi;Roberto Orlando;Bartolomeo Civalleri;Carla Roetti

  • The Calculation of the Vibrational Frequencies of Crystalline Compounds and Its Implementation in the CRYSTAL Code

    Fabien Pascale;Claudio Marcelo Zicovich-Wilson;F. López Gejo;Bartolomeo Civalleri

  • B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

    Bartolomeo Civalleri;Claudio M. Zicovich-Wilson;Loredana Valenzano;Piero Ugliengo

  • H2 storage in isostructural UiO-67 and UiO-66 MOFs.

    Sachin Chavan;Jenny G. Vitillo;Diego Gianolio;Olena Zavorotynska

  • Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74

    L. Valenzano;B. Civalleri;S. Chavan;G. T. Palomino

  • Hartree–Fock geometry optimisation of periodic systems with the Crystal code

    B. Civalleri;Ph. D'Arco;R. Orlando;V.R. Saunders

  • Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches

    Y. Noel;C. M. Zicovich-Wilson;B. Civalleri;Ph. D’Arco

  • Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework.

    Jin Chong Tan;Bartolomeo Civalleri;Chung Cherng Lin;Loredana Valenzano;Loredana Valenzano

  • Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code

    W. F. Perger;Jackson Criswell;Bartolomeo Civalleri;Roberto Dovesi

  • Identifying the Role of Terahertz Vibrations in Metal-Organic Frameworks: From Gate-Opening Phenomenon to Shear-Driven Structural Destabilization

    Matthew R. Ryder;Bartolomeo Civalleri;Thomas D. Bennett;Sebastian Henke

  • Effect of Benzoic Acid as a Modulator in the Structure of UiO-66: An Experimental and Computational Study

    Cesare Atzori;Greig C. Shearer;Lorenzo Maschio;Bartolomeo Civalleri

  • Intermolecular interaction energies in molecular crystals: comparison and agreement of localized Møller-Plesset 2, dispersion-corrected density functional, and classical empirical two-body calculations.

    Lorenzo Maschio;Bartolomeo Civalleri;Piero Ugliengo;Angelo Gavezzotti

  • Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca10(PO4)6(OH)2

    Marta Corno;Claudia Busco;Bartolomeo Civalleri;Piero Ugliengo

  • Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study

    Bartolomeo Civalleri;Francesco Napoli;Yves Noël;Carla Roetti

  • Flexibility in a Metal–Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

    Andrew M. Walker;Bartolomeo Civalleri;Ben Slater;Caroline Mellot-Draznieks

  • The CRYSTAL code, 1976-2020 and beyond, a long story.

    Roberto Dovesi;Fabien Pascale;Bartolomeo Civalleri;Klaus Doll

  • Ab Initio Quantum Simulation in Solid State Chemistry

    Roberto Dovesi;Bartolomeo Civalleri;Carla Roetti;Victor R. Saunders

  • Computational and Experimental Studies on the Adsorption of CO, N 2 , and CO 2 on Mg-MOF-74

    L. Valenzano;B. Civalleri;S. Chavan;G. Turnes Palomino

Frequent Co-Authors

Piero Ugliengo
Piero Ugliengo University of Turin
Roberto Dovesi
Roberto Dovesi University of Turin
Claudio M. Zicovich-Wilson
Claudio M. Zicovich-Wilson Universidad Autónoma del Estado de Morelos
Silvia Bordiga
Silvia Bordiga University of Turin
Jin-Chong Tan
Jin-Chong Tan University of Oxford
Jenny G. Vitillo
Jenny G. Vitillo University of Insubria
Carlo Lamberti
Carlo Lamberti University of Turin
Francesca Bonino
Francesca Bonino University of Turin
Carla Roetti
Carla Roetti University of Turin
Cesare Pisani
Cesare Pisani University of Turin

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