Bernardo Barbiellini
Lappeenranta-Lahti University of Technology, Northeastern University, University of Geneva
Research areas: Physics and Astronomy · Condensed Matter Physics · Physics of Superconductivity and Magnetism · Muon and positron interactions and applications · Magnetic and transport properties of perovskites and related materials
0000-0002-3309-1362
About
Bernardo Barbiellini has worked on theories of modern spectroscopic techniques such as Compton scattering, positron annihilation and STM. He has developed efficient computational methods, in particular the Stochastic Gradient Approximation (SGA) for Quantum Monte Carlo simulations to extract quantum mechanical properties from molecular fragments. He has used electronic structure methods to simulate properties of various materials ranging from high temperature superconductors, colossal magneto-resistant manganites, ice and CdSe nano-particles. His investigation on the hydrogen bond is a significant step towards an understanding of biological processes from the basic laws of quantum mechanics. His more recent scientific interests are problems of excited-state physics in complex materials addressed by powerful synchrotron light sources.
Employment
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Lappeenranta University of Technology Full Professor of Computational Materials Science2017 - Present
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Northeastern University Senior research scientist1999 - 2017
Education
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Universite de Geneve Docteur ès Sciences (PhD)1986 - 1991
Projects & Funding
Projects & funding information is unavailable.
Publications (230)
- Structural Changes and Oxygen Dimerization in Li-Rich Layered Oxide Cathodes: An Atomic-Scale Study Save
- Accelerating materials discovery for water crisis: Multi-objective machine learning for atmospheric water harvesting by MOFs Save
- Metal–Organic Framework Flexibility Boosting Atmospheric Water Harvesting by a Zinc-Based Glycine–Glyoxime–Histidine Framework Save
- Probing Electron Transfer Orbitals Selectively at LiCoO2/C Cathode Interfaces via Positron Annihilation Spectroscopy Save
- Accurate Electron-Phonon Interactions from Advanced Density Functional Theory Save
- Sodium and oxygen site doping strategies for layered transition metal oxide cathode materials in sodium-ion batteries Save
- Magnetism-enhanced strong electron-phonon coupling in infinite-layer nickelates Save
- Accelerating materials discovery for water crisis: Multi-objective machine learning for atmospheric water harvesting by MOFs Save
- Dynamics of time-modulated quantum systems via integrated Lindblad and Maxwell–Bloch equations Save
- Magnetic properties of polyacetylene: Exploring electronic correlation effects through first-principles modeling Save
- Nevanlinna Analytical Continuation of the Central Charge in 2D Conformal Field Theory Save
- Local atomic structure of amorphous Fe81−xCoxNb7B12 alloys using synchrotron radiation x-ray diffraction and pair-distribution function analysis Save
- Probing the semiconductor–Dirac-semimetal transition in Na-Sb-Bi alloys with x-ray Compton scattering Save
- First-principles study of positron interface states in graphene-stacked LiCoO2 Cathodes Save
- Plasmon-induced resonant energy transfer and flat band formation in Fe and Co doped Ni(ii) hydroxide for efficient photocatalytic oxygen evolution Save
- Emergence of Competing Stripe Phases in Undoped Infinite-Layer Nickelates Save
- Positron unveiling high mobility graphene stack interfaces in Li-ion cathodes Save
- Understanding and optimizing the sensitization of anatase titanium dioxide surface with hematite clusters Save
- Second dome of superconductivity in YBa2Cu3O7 at high pressure Save
- Determining effects of doping lithium nickel oxide with tungsten using Compton scattering Save