All Stories

  1. Combining the Fragment Molecular Orbital and GRID Approaches for the Prediction of Ligand–Metalloenzyme Binding Affinity: The Case Study of hCA II Inhibitors

    Article • Molecules, July 2024, MDPI AG

    Prof. Loriano Storchi

  2. Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface

    Article • The Journal of Chemical Physics, February 2024, American Institute of Physics

    Prof. Loriano Storchi

  3. Improved Quantum–Classical Treatment of N2–N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets

    Article • Journal of Chemical Theory and Computation, November 2023, American Chemical Society (ACS)

    Prof. Loriano Storchi

  4. Evaluation of planar silicon pixel sensors with the RD53A readout chip for the Phase-2 Upgrade of the CMS Inner Tracker

    Article • Journal of Instrumentation, November 2023, Institute of Physics Publishing

    Prof. Loriano Storchi

  5. DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction

    Article • Journal of Chemical Information and Modeling, August 2023, American Chemical Society (ACS)

    Prof. Loriano Storchi

  6. Chemical bond analysis for the entire periodic table: energy decomposition and natural orbitals for chemical valence in the four-component relativistic framework

    Article • Molecular Physics, August 2023, Taylor & Francis

    Prof. Loriano Storchi

  7. Smart Caching in a Data Lake for High Energy Physics Analysis

    Article • Journal of Grid Computing, July 2023, Springer Science + Business Media

    Prof. Loriano Storchi

  8. Inelastic N$$_2$$+H$$_2$$ collisions and quantum-classical rate coefficients: large datasets and machine learning predictions

    Article • The European Physical Journal D, July 2023, Springer Science + Business Media

    Prof. Loriano Storchi

  9. Test beam performance of a CBC3-based mini-module for the Phase-2 CMS Outer Tracker before and after neutron irradiation

    Article • Journal of Instrumentation, April 2023, Institute of Physics Publishing

    Prof. Loriano Storchi

  10. Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques

    Article • Journal of Chemical Theory and Computation, September 2022, American Chemical Society (ACS)

    Prof. Loriano Storchi

  11. Structural Reshaping of the Zinc-Finger Domain of the SARS-CoV-2 nsp13 Protein Using Bismuth(III) Ions: A Multilevel Computational Study

    Article • Inorganic Chemistry, September 2022, American Chemical Society (ACS)

    Prof. Loriano Storchi

  12. Homodimeric complexes of the 90–231 human prion: a multilayered computational study based on FMO/GRID-DRY approach

    Article • Journal of Molecular Modeling, August 2022, Springer Science + Business Media

    Prof. Loriano Storchi

  13. Toward machine learning for microscopic mechanisms: A formula search for crystal structure stability based on atomic properties

    Article • Journal of Applied Physics, June 2022, American Institute of Physics

    Prof. Loriano Storchi

  14. Beam test performance of a prototype module with Short Strip ASICs for the CMS HL-LHC tracker upgrade

    Article • Journal of Instrumentation, June 2022, Institute of Physics Publishing

    Prof. Loriano Storchi

  15. The BondMachine, a moldable computer architecture

    Article • Parallel Computing, March 2022, Elsevier

    Prof. Loriano Storchi

  16. Randentropy: A Software to Measure Inequality in Random Systems

    Article • Informatica, January 2022, Vilnius University Press

    Prof. Loriano Storchi, Guglielmo D'Amico

  17. Comparative evaluation of analogue front-end designs for the CMS Inner Tracker at the High Luminosity LHC

    Article • Journal of Instrumentation, December 2021, Institute of Physics Publishing

    Prof. Loriano Storchi

  18. Selection of the silicon sensor thickness for the Phase-2 upgrade of the CMS Outer Tracker

    Article • Journal of Instrumentation, November 2021, Institute of Physics Publishing

    Prof. Loriano Storchi

  19. Reinforcement Learning for Smart Caching at the CMS experiment

    Article • October 2021, Sissa Medialab, SRL

    Prof. Loriano Storchi

  20. Reactivity of antitumor coinage metal-based N-heterocyclic carbene complexes with cysteine and selenocysteine protein sites

    Article • Journal of Inorganic Biochemistry, October 2021, Elsevier

    Prof. Loriano Storchi

  21. Cover Image

    Article • Journal of Computational Chemistry, September 2021, Wiley

    Prof. Loriano Storchi

  22. Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications

    Article • Journal of Computational Chemistry, August 2021, Wiley

    Prof. Loriano Storchi

  23. Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study

    Article • Journal of Computer-Aided Molecular Design, June 2021, Springer Science + Business Media

    Prof. Loriano Storchi, Prof Mariangela Agamennone

  24. The CMS Phase-1 pixel detector upgrade

    Article • Journal of Instrumentation, February 2021, Institute of Physics Publishing

    Prof. Loriano Storchi

  25. The Role of APOSTART in Switching between Sexuality and Apomixis in Poa pratensis

    Article • Genes, August 2020, MDPI AG

    Prof. Loriano Storchi

  26. Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions

    Article • Journal of Chemical Theory and Computation, July 2020, American Chemical Society (ACS)

    Prof. Loriano Storchi

  27. BERTHA: Implementation of a four-component Dirac–Kohn–Sham relativistic framework

    Article • The Journal of Chemical Physics, April 2020, American Institute of Physics

    Dr Leonardo Belpassi, Prof. Loriano Storchi

  28. Experimental study of different silicon sensor options for the upgrade of the CMS Outer Tracker

    Article • Journal of Instrumentation, April 2020, Institute of Physics Publishing

    Prof. Loriano Storchi

  29. BERTHA and PyBERTHA: State of the Art for Full Four-Component Dirac-Kohn-Sham Calculations

    Article • March 2020, IOS Press

    Prof. Loriano Storchi

  30. Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach

    Article • Journal of Computer-Aided Molecular Design, March 2020, Springer Science + Business Media

    Prof. Loriano Storchi, Prof Mariangela Agamennone

  31. Beam test performance of prototype silicon detectors for the Outer Tracker for the Phase-2 Upgrade of CMS

    Article • Journal of Instrumentation, March 2020, Institute of Physics Publishing

    Prof. Loriano Storchi

  32. PyBERTHART: A Relativistic Real-Time Four-Component TDDFT Implementation Using Prototyping Techniques Based on Python

    Article • Journal of Chemical Theory and Computation, February 2020, American Chemical Society (ACS)

    Prof. Loriano Storchi

  33. Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Prof. Loriano Storchi

  34. The BondMachine toolkit: Enabling Machine Learning on FPGA

    Article • November 2019, Sissa Medialab, SRL

    Prof. Loriano Storchi

  35. The DAQ and control system for the CMS Phase-1 pixel detector upgrade

    Article • Journal of Instrumentation, October 2019, Institute of Physics Publishing

    Prof. Loriano Storchi

  36. The Chemical Bond and s–d Hybridization in Coinage Metal(I) Cyanides

    Article • Inorganic Chemistry, August 2019, American Chemical Society (ACS)

    Prof. Loriano Storchi

  37. A Copula-based Markov Reward Approach to the Credit Spread in the European Union

    Article • Applied Mathematical Finance, July 2019, Taylor & Francis

    Prof. Loriano Storchi

  38. A database approach for materials selection for hydrogen storage in aerospace technology

    Article • RENDICONTI LINCEI, May 2019, Springer Science + Business Media

    Prof. Loriano Storchi

  39. Computational investigations of bioinorganic complexes: The case of calcium, gold and platinum ions

    Article • January 2019, American Institute of Physics

    Prof. Loriano Storchi

  40. On the Sensitivity of a Dynamic Measure of Financial Inequality

    Article • Journal of Mathematics and Statistics, January 2019, Science Publications

    Prof. Loriano Storchi

  41. A model of the three-dimensional structure of human interferon responsive factor 1 and its modifications upon phosphorylation or phosphorylation-mimicking mutations

    Article • Journal of Biomolecular Structure and Dynamics, December 2018, Taylor & Francis

    Dr Alessandro Marrone, Prof. Loriano Storchi

  42. Harvesting dispersed computational resources with Openstack: a Cloud infrastructure for the Computational Science community

    Article • December 2018, Sissa Medialab, SRL

    Prof. Loriano Storchi

  43. An insight of early PrP-E200K aggregation by combined molecular dynamics/fragment molecular orbital approaches

    Article • Proteins Structure Function and Bioinformatics, November 2018, Wiley

    Prof. Loriano Storchi

  44. Precision measurement of the structure of the CMS inner tracking system using nuclear interactions

    Article • Journal of Instrumentation, October 2018, Institute of Physics Publishing

    Prof. Loriano Storchi

  45. Correction to: Relativistic quantum chemistry involving heavy atoms

    Article • RENDICONTI LINCEI, October 2018, Springer Science + Business Media

    Prof. Loriano Storchi

  46. Financial risk distribution in European Union

    Article • Physica A Statistical Mechanics and its Applications, September 2018, Elsevier

    Prof. Loriano Storchi

  47. A Continuous-Time Inequality Measure Applied to Financial Risk: The Case of the European Union

    Article • International Journal of Financial Studies, June 2018, MDPI AG

    Prof. Loriano Storchi

  48. Relativistic quantum chemistry involving heavy atoms

    Article • RENDICONTI LINCEI, May 2018, Springer Science + Business Media

    Prof. Loriano Storchi

  49. Effect of pomegranate peel extract on shelf life of strawberries: computational chemistry approaches to assess antifungal mechanisms involved

    Article • Journal of Food Science and Technology, April 2018, Springer Science + Business Media

    Prof. Loriano Storchi

  50. Test beam demonstration of silicon microstrip modules with transverse momentum discrimination for the future CMS tracking detector

    Article • Journal of Instrumentation, March 2018, Institute of Physics Publishing

    Prof. Loriano Storchi

  51. Charge-Displacement Analysis via Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework

    Article • Journal of Chemical Theory and Computation, January 2018, American Chemical Society (ACS)

    Prof. Loriano Storchi

  52. Characterisation of irradiated thin silicon sensors for the CMS phase II pixel upgrade

    Article • The European Physical Journal C, August 2017, Springer Science + Business Media

    Prof. Loriano Storchi

  53. P-Type Silicon Strip Sensors for the new CMS Tracker at HL-LHC

    Article • Journal of Instrumentation, June 2017, Institute of Physics Publishing

    Prof. Loriano Storchi

  54. Test beam performance measurements for the Phase I upgrade of the CMS pixel detector

    Article • Journal of Instrumentation, May 2017, Institute of Physics Publishing

    Prof. Loriano Storchi

  55. Track finding mezzanine for Level-1 triggering in HL-LHC experiments

    Article • May 2017, Institute of Electrical & Electronics Engineers (IEEE)

    Prof. Loriano Storchi

  56. Mechanical stability of the CMS strip tracker measured with a laser alignment system

    Article • Journal of Instrumentation, April 2017, Institute of Physics Publishing

    Prof. Loriano Storchi

  57. Automated Simulation of Gas-Phase Reactions on Distributed and Cloud Computing Infrastructures

    Article • January 2017, Springer Science + Business Media

    Prof. Loriano Storchi

  58. The Effects of Ca2+ Concentration and E200K Mutation on the Aggregation Propensity of PrPC: A Computational Study

    Article • PLoS ONE, December 2016, PLOS

    Prof. Loriano Storchi

  59. A pattern recognition mezzanine based on associative memory and FPGA technology for L1 track triggering at HL-LHC

    Article • Nuclear Instruments and Methods in Physics Research Section A Accelerators Spectrometers Detectors and Associated Equipment, July 2016, Elsevier

    Prof. Loriano Storchi

  60. Trapping in proton irradiated p+-n-n+silicon sensors at fluences anticipated at the HL-LHC outer tracker

    Article • Journal of Instrumentation, April 2016, Institute of Physics Publishing

    Prof. Loriano Storchi

  61. A Pattern Recognition Mezzanine based on Associative Memory and FPGA technology for Level 1 Track Triggers for the HL-LHC upgrade

    Article • Journal of Instrumentation, February 2016, Institute of Physics Publishing

    Prof. Loriano Storchi

  62. Impact of low-dose electron irradiation on n+p silicon strip sensors

    Article • Nuclear Instruments and Methods in Physics Research Section A Accelerators Spectrometers Detectors and Associated Equipment, December 2015, Elsevier

    Prof. Loriano Storchi

  63. similarity and prion protein

    Article • Proteins Structure Function and Bioinformatics, August 2015, Wiley

    Dr Alessandro Marrone, Prof. Loriano Storchi

  64. Gold–superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study

    Article • The Journal of Chemical Physics, July 2015, American Institute of Physics

    Prof. Loriano Storchi

  65. Modeling Mesoporous Nanoparticulated TiO2 Films through Nanopolyhedra Random Packing

    Article • The Journal of Physical Chemistry C, May 2015, American Chemical Society (ACS)

    Prof. Loriano Storchi

  66. Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program

    Article • Journal of Chemical Theory and Computation, September 2014, American Chemical Society (ACS)

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  67. A cloud-based solution for public administrations: The experience of the Regione Marche

    Article • May 2014, Institute of Electrical & Electronics Engineers (IEEE)

    Prof. Loriano Storchi

  68. Shape and Morphology Effects on the Electronic Structure of TiO2 Nanostructures: From Nanocrystals to Nanorods

    Article • ACS Applied Materials & Interfaces, February 2014, American Chemical Society (ACS)

    Prof. Loriano Storchi

  69. Efficient Parallel All-Electron Four-Component Dirac–Kohn–Sham Program Using a Distributed Matrix Approach II

    Article • Journal of Chemical Theory and Computation, December 2013, American Chemical Society (ACS)

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  70. Inherent electronic trap states in TiO2 nanocrystals: effect of saturation and sintering

    Article • Energy & Environmental Science, January 2013, Royal Society of Chemistry

    Prof. Loriano Storchi

  71. Scientific objectives of Einstein Telescope

    Article • Classical and Quantum Gravity, June 2012, Institute of Physics Publishing

    Prof. Loriano Storchi

  72. Radiationless decay in the region of the 2t2g and 4eg resonances in SF6

    Article • The Journal of Chemical Physics, March 2011, American Institute of Physics

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  73. Recent advances and perspectives in four-component Dirac–Kohn–Sham calculations

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  74. Extending pKa prediction accuracy: High-throughput pKa measurements to understand pKa modulation of new chemical series

    Article • European Journal of Medicinal Chemistry, September 2010, Elsevier

    Prof. Loriano Storchi

  75. An Efficient Parallel All-Electron Four-Component Dirac−Kohn−Sham Program Using a Distributed Matrix Approach

    Article • Journal of Chemical Theory and Computation, February 2010, American Chemical Society (ACS)

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  76. A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene

    Article • The Journal of Chemical Physics, November 2009, American Institute of Physics

    Prof. Loriano Storchi

  77. In silicopKaPrediction and ADME Profiling

    Article • Chemistry & Biodiversity, November 2009, Wiley

    Prof. Loriano Storchi

  78. Multitechnique investigation of the valence and inner shell excitation, ionization and decay of halogenated pyrimidines

    Article • Journal of Physics Conference Series, November 2009, Institute of Physics Publishing

    Prof. Loriano Storchi

  79. Predicting protein pKaby environment similarity

    Article • Proteins Structure Function and Bioinformatics, August 2009, Wiley

    Prof. Loriano Storchi

  80. Implementation and use of a direct, partially integral-driven non-Dyson propagator method for molecular ionization

    Article • Journal of Computational Chemistry, April 2009, Wiley

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  81. Molecular photoionization cross sections by Stieltjes–Chebyshev moment theory applied to Lanczos pseudospectra

    Article • The Journal of Chemical Physics, February 2009, American Institute of Physics

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  82. Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases

    Article • Journal of Chemical Information and Modeling, January 2009, American Chemical Society (ACS)

    Prof. Loriano Storchi

  83. Double photoionization of thiophene and bromine-substituted thiophenes

    Article • The Journal of Chemical Physics, December 2008, American Institute of Physics

    Prof. Loriano Storchi

  84. The Auger spectroscopy of pyrimidine and halogen-substituted pyrimidines

    Article • The Journal of Chemical Physics, October 2008, American Institute of Physics

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  85. New and Original pKa Prediction Method Using Grid Molecular Interaction Fields

    Article • Journal of Chemical Information and Modeling, October 2007, American Chemical Society (ACS)

    Prof. Loriano Storchi

  86. An experimental and theoretical study of double photoionization of CF4 using time-of-flight photoelectron-photoelectron (photoion-photoion) coincidence spectroscopy

    Article • The Journal of Chemical Physics, November 2006, American Institute of Physics

    Prof. Loriano Storchi

  87. Site-selected Auger electron spectroscopy of N2O

    Article • The Journal of Chemical Physics, August 2006, American Institute of Physics

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  88. Computing Molecular Energy Surfaces on a Grid

    Article • January 2006, Springer Science + Business Media

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  89. Effects of nuclear dynamics in the low-kinetic-energy Auger spectra of CO and CO2

    Article • The Journal of Chemical Physics, December 2005, American Institute of Physics

    Prof. Loriano Storchi

  90. Complete valence double photoionization of SF6

    Article • The Journal of Chemical Physics, April 2005, American Institute of Physics

    Professor Francesco Tarantelli, Prof. Loriano Storchi

  91. Parallelization of a relativistic DFT code

    Article • Future Generation Computer Systems, June 2004, Elsevier

    Professor Francesco Tarantelli, Prof. Loriano Storchi