ResearchGate - ORCID - Google scholar

Papers on international peer-reviewed journals

1. C. J. Linnemann, E. Ehrenreich-Petersen, D. Ceresoli, T. Fedotenko, I. Kantor, M. R. V. Jørgensen and M. Bremholm, Weyl Semimetallic Phase in High Pressure CrSb2 and Structural Compression Studies of its High Pressure Polymorphs, Journal of Alloys and Compounds (2024) (open access)

2. L. Giacomazzi, L. Martin-Samos, N. Richard, D. Ceresoli and A. Alessi, Identification of paramagnetic centers in irradiated Sn-doped silicon dioxide by first-principles, J. Phys. Cond. Mat. 36, 215502 (2024) (journal link)

3. A. di Biase, C. Castellano, G. Confalonieri, P. Fumagalli, S. Tumiati, D. Ceresoli and M. Scavini, Emerging disorder in Gd2(Ti1−xZrx)2O7 pyrochlores matrices for radioactive waste disposal: symmetry lowering versus defect clustering, J. Mater. Chem. A 11, 24203 (2023) (journal link)

4. A. Gadelmawla, S. Spreafico, F. W. Heinemann, D. Liu, Q. Li, Q. Yan, D. Ceresoli, K. Kimura, B. Meyer and K. G. Webber, Investigation of ferroelectric Ba1-xCaxZryTi1-yO3 single crystal by in situ temperature-dependent X-ray diffraction and first-principles calculations, J. Appl. Phys. 134, 144104 (2023) (journal link)

5. T. B. Egede Grønbech, L. Krause, D. Ceresoli, and B. B. Iversen, Elucidating the superexchange mechanisms in magnetic coordination polymer [Co(HCOO)2(H2O)2]∞ through chemical bonding analysis, J. Mater. Chem. C 11, 12922 (2023) (journal link)

6. E. Ehrenreich-Petersen, M. Hansen, J. Jeanneau, D. Ceresoli, F. Menescardi, M. Ottesen, V. Prakapenka, S. Tkachev and M. Bremholm, A Seven-Coordinated High-Pressure Phase of CrSb2 and Experimental Equation of State of MSb2 (M = Cr, Fe, Ru, Os), Inorg. Chem. 62, 12203 (2023) (journal link)

7. P. O. Adebambo, G. A. Adebayo, R. Guerra and D. Ceresoli, Electronic and phonon contributions to the Thermoelectric properties of newly discovered half-Heusler alloys XHfPb (X= Ni, Pd, and Pt), J. Phys. Chem. Solids 174, 111196 (2023) (preprint, journal link)

8. G. Buccella, A. Villa, D. Ceresoli, R. Schurch, L. Barbieri, R. Malgesini and D. Palladini, A computational modelling of carbon layer formation on treeing branches, Modelling Simul. Mater. Sci. Eng. 31, 035001 (2023) (journal link)

9. C. Hjort Kronbo, E. Ehrenreich-Petersen, M. Ottesen, F. Menescardi, D. Ceresoli and M. Bremholm, High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO3 – Discovery of a Post-Perovskite, Inorg. Chem. 61, 19088(2022) (journal link)

10. M. Scavini, F. Bertolotti, J. Mlloja, F. Umbri, A. Bosc, S. Cappelli, S. Checchia, C. Oliva, P. Fumagalli, D. Ceresoli, M. Longhi, A. Guagliardi and M. Coduri, Structure and Surface Relaxation of CeO2 Nanoparticles Unveiled by Combining Real and Reciprocal Space Total Scattering Analysis, Nanomaterials 12, 3385 (2022) (open access)

11. C. Tantardini, A. G. Kvashnin and D. Ceresoli, GIPAW Pseudopotentials of d Elements for Solid-State NMR, Materials 15, 3347 (2022) (open access)

12. T. B. Egede Grønbech, K. Tolborg, D. Ceresoli and B. B. Iversern, Anharmonic motion and aspherical nuclear probability density functions in cesium halides, Phys. Rev. B 105, 104113 (2022) (journal link)

13. M. Penconi, K. Aravind, M.-C. Jung, M. Cazzaniga, C. Baldoli, D. Ceresoli, M. Thompson and A. Bossi, Advancing near-IR phosphorescence with heteroleptic Iridium complexes bearing a single emitting ligand: properties and OLED applications, Chem. Mater. 34, 574 (2022) (journal link)

14. P. M. Sheverdyaeva, F. Offi, S. Gardonio, L. Novinec, M. I. Trioni, D. Ceresoli, S. Iacobucci, A. Ruocco, G. Stefani, L. Petaccia, S. Gorovikov, E. Cappelluti, P. Moras, G. Bihlmayer, S. Blügel and C. Carbone, Topological properties and self-energy effects in elemental Yb, Phys. Rev. B 104, 195138 (2021) (journal link)

15. F. T. Cerasoli, A. R. Supka, A. Jayaraj, M. Costa, I. Siloi, J. Slawińska, S. Curtarolo, M. Fornari, D. Ceresoli and M. Buongiorno Nardelli, Advanced modeling of materials with PAOFLOW 2.0: new features and software design, Comp. Mat. Sci. 200, 110828 (2021) (preprint, journal link)

16. W. Mi, X. Shao, A. Genova, D. Ceresoli and M. Pavanello, eQE 2.0: Subsystem DFT beyond GGA functionals, Comp. Phys. Comm. 269, 108122 (2021) (preprint, journal link)

17. G. Buccella, A. Villa, D. Ceresoli, L. Barbieri, R. Malesini and Andres R. Leon-Garzon, About the ageing of polyethylene exposed to plasma discharges: a comparison between two models,  Appl. Surf. Sci. 567, 150306 (2021) (journal link)

18. X. Yao, Y. Lee, D. Ceresoli and K. Cho, First-Principles Study on Electron-Induced Excitations of ALD Precursors: Inelastic Electron Wave-Packet Scattering with Cobalt Tricarbonyl Nitrosyl Co(CO)3NO using Time-Dependent Density Functional Theory, J. Chem. Phys. A 125, 4524 (2021) (journal link)

19. G. Buccella, D. Ceresoli, A. Villa, L. Barbieri and R. Malgesini, Electronic structure of defected polyethylene for Schottky emission, Materials Chemistry and Physics 263, 124268 (2021) (journal link)

20. F. Menescardi and D. Ceresoli, Comparative Analysis of DFT+U, ACBN0, and Hybrid Functionals on the Spin Density of YTiO3 and SrRuO3, Applied Sciences 11, 616 (2021) (open access)

21. F. Menescardi, Emma Ehrenreich-Petersen and D. Ceresoli, High pressure computational search of trivalent lanthanide di-nitrides, J. Phys. Chem. C 125, 161 (2021) (journal link, preprint)

22. K. H. Kronbo, F. Menescardi, D. Ceresoli and M. Bremholm, High pressure structure studies of three SrGeO3 polymorphs - Amorphization under pressure, Journal of Alloys and Compounds 855, 157419 (2021) (journal link)

23. D. Baratella, D. Dragoni, D. Ceresoli and M. Bernasconi, First principles on the crystalline Ga4Sb6Te3 phase change compound, Physica Status Solidi RRL 15, 2000382 (2021) (open access)

24. M. Coduri, P. Masala, L. Del Bianco, F. Spizzo, D. Ceresoli, C. Castellano, S. Cappelli, C. Oliva, S. Checchia, M. Allieta, D.-V. Szabo, S. Schlabach, M. Hagelstein, C. Ferrero, M. Scavini, Local structure and magnetism of Fe2O3 maghemite nanocrystals: the role of crystal dimension, Nanomaterials 10, 867 (2020) (open access)

25. C. Hjort Kronbo, L. Ring Jensen, F. Menescardi, D. Ceresoli, Martin Bremholm, High-pressure, low-temperature studies of phase transitions in SrRuO3 – Absence of volume collapse, J. Solid State Chemistry 287, 121360 (2020) (journal link)

26. G. Buccella, D. Ceresoli, A. Villa, L. Barbieri, R. Malgesini, First-principles evaluation of the secondary electron yield (γN) from polyethylene surface, J. Phys. D: Appl. Phys. 53, 175301 (2020) (journal link)

27. M. Cazzaniga, F. Cargnoni, M. Penconi, A. Bossi and D. Ceresoli, Ab-initio Many Body Perturbation Theory calculations of the electronic and optical properties of cyclometalated Ir(III) complexes, J. Comp. Theo. Chem. 16, 1188 (2020) (preprint, journal link)

28. M. Cazzaniga, F. Cargnoni, M. Penconi, A. Bossi and D. Ceresoli, Unraveling the degradation mechanism of FIrpic based blue OLEDs: I. A theoretical investigation, Chemistry of Materials 31, 2269 (2019) (preprint, journal link)

29. M. Penconi, M. Cazzaniga, W. Panzeri, A. Mele, F. Cargnoni, D. Ceresoli and A. Bossi, Unraveling the degradation mechanism in FIrpic based Blue OLEDs: II. Trap and detect molecules at the interfaces, Chemistry of Materials 31, 2277 (2019) (preprint, journal link)

30. S. M. Kevy, M. B. Nielsen, L. F. Lundegaard, D. Ceresoli, Y.-S. Chen, H. Reardon, P. Parisiades and M. Bremholm, Investigation of the High Pressure Phase BiS2: Temperature-Resolved Structure and Compression Behavior to 60 GPa, Journal of Alloys and Compounds 789, 588 (2019) (journal link)

31. M. Coduri, S. Checchia, M. Longhi, D. Ceresoli and M. Scavini, Rare Earth Doped Ceria: the complex connection between structure and properties, Frontiers in Chemistry 6, 526 (2018) (open access)

32. M. Bragato, S. Achilli, F. Cargnoni, D. Ceresoli, R. Martinazzo, R. Soave and M. I. Trioni, Magnetic Moments and Electron Transport through Chromium-Based Antiferromagnetic Nanojunctions, Materials 11, 2030 (2018) (open access)

33. M. Penconi, M. Cazzaniga, S. Kesarkar, C. Baldoli, P. R. Mussini, D. Ceresoli and A. Bossi, β-diketonate Ancillary Ligands in Heteroleptic Iridium Complexes: a balance between synthetic advantages and photophysical troubles, Photochemical & Photobiological Sciences 17, 1169 (2018) (journal link)

34. D. Dragoni, D. Ceresoli and N. Marzari, Vibrational and thermoelastic properties of bcc iron from selected EAM potentials, Comp. Mat. Sci. 152, 99 (2018) (preprint, journal link)

35. M. Kiffner, D. Jaksch and D. Ceresoli, A polynomial Ansatz for Norm-conserving Pseudopotentials, J. Phys. Cond. Mat. 30, 275501 (2018) (preprint, journal link)

36. K. Ostrowska, D. Ceresoli, K. Stadnicka, M. Gryl, M. Cazzaniga, R. Soave, B. Musielak, Ł. J. Witek, P. Goszczycki, J. Grolik and A. M. Turek, π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene, IUCrJ 5, 335 (2018) (open access)

37. V. Derakhshan, A. G. Moghaddam, and D. Ceresoli, Tailoring topological states in silicene using different halogen-passivated Si(111) substrates, Phys. Rev. B 97, 125301 (2018) (preprint, journal link)

38. P. Giannozzi, ..., D. Ceresoli, ... et al., Advanced capabilities for materials modelling with Quantum ESPRESSO, J. Phys. Cond. Mat. 29 465901 (2017) (preprint, journal link)

39. R. O. Agbaoye, P. O. Adebambo, J. O. Akinlami, T. A. Afolabi, S. Zh. Karazhanov, D. Ceresoli, G. A. Adebayo, Elastic constants and thermodynamics properties of pristine PEDOT revealed: A first-principles PBE/PBE PAW approach, Comp. Mat. Sci. 139, 234 (2017) (preprint, journal link)

40. M. Penconi, M. Cazzaniga, S. Kesarkar, P. R. Mussini, D. Ceresoli and A. Bossi, Upper limit to the ultimate achievable emission wavelength in Near-IR emitting cyclometalated Iridium complexes, Photochemical & Photobiological Sciences 16, 1220 (2017) (journal link)

41. R. Martoňák, D. Ceresoli, T. Kagayama, Y. Matsuda, Y. Yamada and E. Tosatti, High-pressure phase diagram, structural transitions, and persistent non-metallicity of BaBiO3 : theory and experiment, Phys. Rev. Materials 1, 023601 (2017) (preprint, journal link)

42. A. Genova, D. Ceresoli, A. Krishtal, O. Andreussi, R. A. DiStasio and M. Pavanello, eQE -- An open source density functional embedding theory code for the condenses phase, Int. J. Quantum Chem. 117, e25401 (2017) (journal link)

43. A. Supka, T. E. Lyons, L. Liyanage, P. D'Amico, R. A. R. Al Orabi, S. Mahatara, P. Gopal, C. Toher, D. Ceresoli, A. Calzolari, S. Curtarolo, M. Buongiorno Nardelli and M. Fornari, AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians, Comp. Mat. Sci. 136, 76 (2017) (preprint, journal link)

44. R. Pigliapochi, A. J. Pell, I. D. Seymour, C. P. Grey, D. Ceresoli and M. Kaupp, DFT investigation of the effect of spin-orbit coupling on the NMR shifts in paramagnetic solids, Phys. Rev. B 95, 054412 (2017) (journal link)

45. M. B. Nielsen, D. Ceresoli, J.-E. Jørgensen, C. Prescher, V. B. Prakapenka and M. Bremholm, Experimental evidence for pressure-induced first order transition in cerium nitride from B1 to B10 structure type, J. Appl. Phys. 121, 025903 (2017) (preprint, journal link)

46. M. Kiffner, D. Ceresoli, W. Li and D. Jaksch, Quantum mechanical calculation of Rydberg-Rydberg autoionization rates, J. Phys. B: At. Mol. Opt. Phys. 49, 204004 (2016) (journal link)

47. C. Tantardini, D. Ceresoli and E. Benassi, Source Function and plane waves: toward complete Bader analysis, J. Comput.Chem. 37, 2133 (2016) (journal link)

48. E. del Castillo, S. Achilli, F. Cargnoni, D. Ceresoli, R. Soave and M. I. Trioni, Spin-filtering in graphene junctions with Ti and Co adsorbates, Chem. Phys. 478, 91 (2016) (journal link)

49. A. Genova, D. Ceresoli and M. Pavanello, Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical, J. Chem. Phys. 144, 234105 (2016) (journal link)

50. D. Giofré, D. Ceresoli, G. Fratesi and M. I. Trioni, Electronic transport in B-N substituted bilayer graphene nanojunctions, Phys. Rev. B 93, 205420 (2016) (preprint, journal link)

51. L. A. Agapito, M. Fornari, D. Ceresoli, A. Ferretti, S. Curtarolo and M. Buongiorno Nardelli, Accurate tight-binding Hamiltonians for two-dimensional and layered materials, Phys. Rev. B 93, 125137 (2016) (preprint, journal link)

52. G. L. Chiarello, A. Zuliani, D. Ceresoli, R. Martinazzo and E. Selli, Exploiting the photonic crystal properties of TiO2 nanotube arrays to enhance photocatalytic hydrogen production, ACS Catalysis 6, 1345 (2016) (journal link)

53. S. Kesarkar, W. Mróz, M. Penconi, M. Pasini, S. Destri, M. Cazzaniga, D. Ceresoli, P. R. Mussini, C. Baldoli, U. Giovannella and A. Bossi, Near-IR emitting Ir(III) complexes with heteroaromatic beta-diketonate ancillary ligands for efficient solution processed OLEDs: structure-properties correlations, Angew. Chemie Int. Ed. 55, 2714 (2016) (journal link)

54. F. Xiao, J. S. Möller, T. Lancaster, R .C. Williams, F. L. Pratt, S .J. Blundell, D. Ceresoli, A. M. Barton and J. L. Manson, Spin diffusion in the low-dimensional molecular quantum Heisenberg antiferromagnet Cu(pyz)(NO3)2 detected with implanted muons, Phys. Rev. B 91, 144417 (2015) (preprint, journal link)

55. A. Kristhal, D. Ceresoli and M. Pavanello, Subsystem real-time Time Dependent Density Functional Theory, J. Chem. Phys. 142, 154116 (2015) (preprint, journal link)

56. D. Dragoni, D. Ceresoli and N. Marzari, Thermoelastic properties of alpha-iron from first principles, Phys. Rev. B 91, 104105 (2015) (preprint, journal link)

57. M. B. Nielsen, D. Ceresoli, P. Parisiades, V. B. Prakapenka, T. Yu, Y. Wang and M. Bremholm, Phase stability of the SrMnO3 hexagonal perovskite system at high pressure and temperature, Phys. Rev. B 90, 214101 (2014) (journal link)

58. A. Genova, D. Ceresoli and M. Pavanello, Periodic subsystem density functional theory, J. Chem. Phys. 141, 174101 (2014) (journal link, preprint)

59. G. Saleh, L. Lo Presti, C. Gatti and D. Ceresoli, NCImilano: an electron density-based code for the study of non-covalent interactions, J. Appl. Cryst. 46, 1513 (2013) (journal link)

60. N. Varini, D. Ceresoli, L. Martin-Samos, I. Girotto and C. Cavazzoni, Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car–Parrinello calculations, Comput. Phys. Comm. 184, 1827 (2013) (preprint, journal link)

61. J. S. Möller, D. Ceresoli, S. J. Blundell, T. Lancaster and N. Marzari, First-principles study of the quantum states of muons in fluorides, Phys. Rev. B 87, 121108(R) (2013) (preprint, journal link)

62. B. Pavan, D. Ceresoli, M. M. T. Tecklenburg and M. Fornari, First principles NMR study of fluorapatite under pressure, Solid State Nucl. Magn. Res. 45-46, 59 (2012) (preprint, journal link)

63. Y. Oussaifi, A. Said, A. B. Fredj, L. Debbichi, D. Ceresoli and M. Said, Effect of pressure on the energy band gaps of wurtzite GaN and AlN and electronic properties of their ternary alloys AlxGa1-xN, Physica B 407, 3604 (2012) (journal link)

64. V. Filidou, D. Ceresoli, J. J. L. Morton and F. Giustino, First-principles investigation of hyperfine interactions for nuclear spin entanglement in photo-excited fullerenes, Phys. Rev. B 85, 115430 (2012) (journal link, preprint)

65. U. Gerstmann, A. P. Seitsonen, D. Ceresoli, F. Mauri, H. J. von Bardeleben, J. L. Cantin and J. Garcia Lopez, SiCCSi antisite pairs in SiC identified as paramagnetic defects with strongly anisotropic orbital quenching, Phys. Rev. B 81, 195208 (2010) (journal link)

66. D. Ceresoli, N. Marzari, G. Lopez and T. Thonhauser, An ab-initio converse NMR approach for pseudopotentials, Phys. Rev. B 81, 184424 (2010) (journal link, preprint)

67. D. Ceresoli, U. Gerstmann, A. P. Seitsonen and F. Mauri, First-principles theory of the orbital magnetization, Phys. Rev. B 81, 060409(R) (2010) (journal link, preprint)

68. T. Thonhauser, D. Ceresoli, A. A. Mostofi, N. Marzari, R. Resta and D. Vanderbilt, A converse approach to the calculation of NMR shielding tensors, J. Chem. Phys. 131, 101101 (2009) (journal link, preprint)

69. P. Giannozzi, ... D. Ceresoli, ..., Quantum-ESPRESSO: a modular and open-source software project for quantum simulations of materials, J. Phys. Cond. Mat. 21 395502 (2009). (journal link, preprint)

70. D. Ceresoli, T. Zykova-Timan and E. Tosatti, Charging Induced Emission of Neutral Atoms from NaCl Nanocube Corners, J. Phys. Cond. Mat. 20, 325236 (2008). (journal link, preprint)

71. D. Ceresoli and R. Resta, Orbital magnetization and Chern number in a supercell framework: Single k-point formula, Phys. Rev. B. 76, 012405 (2007). (journal link, preprint)

72. D. Ceresoli, R. Marchetti, and E. Tosatti, Electron corrected Lorentz forces in solids and molecules in magnetic field, Phys. Rev. B. 75, 161101 (2007). (journal link, preprint)

73. T. Zykova-Timan, D. Ceresoli and E. Tosatti, Peak Effect and Skating in High Temperature Nanofriction, Nature Materials 6, 230 (2007). (journal link, preprint)

74. D. Ceresoli and D. Vanderbilt, Structural and dielectric properties of amorphous ZrO2 and HfO2, Phys. Rev. B 74, 125108 (2006). (journal link, preprint)

75. D. Ceresoli, T. Thonhauser, D. Vanderbilt and R. Resta, Orbital magnetization in crystalline solids: multi-band insulators, Chern insulators, and metals, Phys. Rev. B 74, 024408 (2006). (journal link, preprint)

76. T. Zykova-Timan, D. Ceresoli, U. Tartaglino and E. Tosatti, Physics of solid and liquid alkali halide surfaces near the melting point, J. Chem. Phys. 123, 164701 (2005). (journal link, preprint)

77. T. Thonhauser, D. Ceresoli, D. Vanderbilt and R. Resta, Orbital magnetization in periodic insulators, Phys. Rev. Lett. 95, 137205 (2005). (journal link, preprint)

78. R. Resta, D. Ceresoli, T. Thonhauser and D. Vanderbilt, Orbital magnetization in extended systems, Chem. Phys. Chem. 6, 1815 (2005). (journal link)

79. D. Ceresoli, M. C. Righi, E. Tosatti, S. Scandolo, G. Santoro and S. Serra, Exciton self-trapping in bulk polyethylene, J. Phys. Cond. Matt. 17, 4621 (2005). (journal link, preprint)

80. T. Zykova-Timan, U. Tartaglino, D. Ceresoli and E. Tosatti, Why Are Alkali Halide Solid Surfaces Not Wetted By Their Own Melt?, Phys. Rev. Lett. 94, 176105 (2005). (journal link, preprint)

81. X. Zhao, D. Ceresoli and D. Vanderbilt, Amorphous ZrO2 from Ab-initio molecular dynamics: Structural, electronic and dielectric properties, Phys. Rev. B 71, 085107 (2005). (journal link, preprint)

82. D. Ceresoli, E. Tosatti, S. Scandolo, G. Santoro, and S. Serra, Trapping of excitons by chemical defects in polyethylene, J. Chem. Phys. 121, 6478 (2004). (journal link, preprint)

83. D. Ceresoli and E. Tosatti, Berry's phase calculation of rotational and pseudorotationial g-factor in molecules and solids, Phys. Rev. Lett. 89, 116402 (2002). (journal link, preprint)

84. S. Iarlori, D. Ceresoli, M. Bernasconi, D. Donadio and M. Parrinello, Dehydroxylation and silanization of the surfaces of beta-cristobalite silica: an ab-initio simulation, J. Phys. Chem. 105, 8007 (2001). (journal link)

85. D. Ceresoli, M. Bernasconi, S. Iarlori, M. Parrinello, E. Tosatti, Two-membered Silicon Rings on the Dehydroxylated Surface of Silica, Phys. Rev. Lett. 84, 3887 (2000). (journal link)

Proceedings

1. G. Buccella, D. Ceresoli, A. Villa, L. Barbieri and R. Malgesini, On the triggering of partial discharges in polyethylene: chemical and electronic characterization, Proceedings of the Sixth International Symposium on Dielectric Materials and Applications (ISyDMA’6) (2022) (chapter link)

2. M. Bremholm, S. M. Soendergaard-Pederesen, M. B. Nielsen, L. F. Lundegaard, D. Ceresoli, Y.-S. Chen, High pressure synthesis of bismuth disulphide, structural solution and its physical properties, Acta Cryst. A71, s79 (2015) (journal link)

3. J. S. Möller, P. Bonfà, D. Ceresoli, F. Bernardini, S. J. Blundell, T. Lancaster, R. De Renzi, N. Marzari, I. Watanabe, S. Slaiman and M. I. M. Ibrahim, Playing quantum hide-and-seek with the muon: localizing muon stopping sites, Physica Scripta 88, 068510 (2013) (preprint, journal link)

4. M. Tong, ..., D. Ceresoli, ..., et al., An integrated framework for multi­scale multi­physics numerical modeling of interface evolution in welding, IOP Conference Series: Materials Science and Engineering 33, 012029 (2012) (journal link)

5. T. Thonhauser, D. Ceresoli and N. Marzari, NMR shifts for polycyclic aromatic hydrocarbons from first principles, Int. J. Quantum Chem. 109, 3336 (2009). (journal link)

6. D. Ceresoli, T. Zykova-Timan, U. Tartaglino and E. Tosatti, Alkali Halide Surfaces near Melting: Wetting and Nanofriction Properties, Mat. Sci. Eng. A 495, 32 (2008). (journal link, preprint)

7. T. Zykova-Timan, D. Ceresoli, U. Tartaglino and E. Tosatti, Physics and nanofriction of alkali halide solid surfaces at the melting point, Surf. Sci. 600, 4395 (2006). (journal link, preprint)

8. D. Ceresoli, T. Zykova-Timan and E. Tosatti, Electron-stimulated emission of Na atoms from NaCl nanocube corners, Surf. Sci. 600, 4315 (2006). (journal link, preprint)

9. D. Vanderbilt, X. Zhao and D. Ceresoli, Structural and dielectric properties of crystalline and amorphous ZrO2, Thin Solid Films 486, 125 (2005). (journal link, preprint)

10. T. Zykova-Timan, U. Tartaglino, D. Ceresoli, W. Sekkal-Zaoui and E. Tosatti, NaCl nanodroplets on NaCl(100) at the melting point, Surf. Sci. 566-568, 794 (2004). (journal link, preprint)

Book chapters

1. G. Saleh, D. Ceresoli, G. Macetti and C. Gatti, Chemical Bonding Investigations for Materials, in “Computational Materials Discovery”, A. R. Oganov, G. Saleh, A. G. Kvashnin, RSC (2019) (book link)

2. T. Zykova-Timan, U. Tartglino, D. Ceresoli and E. Tosatti, The NaCl (100) surface: why does it not melt?, in Hilights in the quantum theory of condensed matter, a volume in honor of Mario Tosi, ed. Scuola Normale Superiore di Pisa (2005).

3. D. Ceresoli, M. C. Righi, E. Tosatti, S. Scandolo, G. Santoro and S. Serra, Electron-hole trapping and self-trapping in polyethylene, in Electrons and Phonons in Solids, a volume in honor of Franco Bassani, ed. Scuola Normale Superiore di Pisa, (2001).

Other papers

1. I. Girotto, N. Varini, F. Spiga, C. Cavazzoni, D. Ceresoli, L. Martin-Samos and T. Gorni, Enabling of Quantum-Espresso to petascale scientific challenges, PRACE Whitepapers 2012. (link)

2. J. R. Yates, J. C. Pickard and D. Ceresoli, First principles calculation of Solid-State NMR parameters, Psi-k Highlight 102 (2010).

3. D. Ceresoli, M. Bernasconi, S. Iarlori, M. Parrinello, E. Tosatti, Two-membered silicon rings on the dehydroxylated surface of silica, Istituto Nazionale per la Fisica della Materia (INFM) Highlights 2000-2001, (2002).