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View the latest research published by CMSP scientists.

Preprint

2025

Interplay of entanglement structures and stabilizer entropy in spin models

Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito

Journal article

2025

Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations

The Journal of Physical Chemistry A (2025)

B. Hourahine | M. Berdakin | J. A. Bich | F. P. Bonafé | C. Camacho | Q. Cui | M. Y. Deshaye | G. Díaz Mirón | S. Ehlert | M. Elstner | T. Frauenheim | N. Goldman | R. A. González León | T. van der Heide | S. Irle ...

Journal article

2025

Crystallization of L‐Cysteine in Heavy Water Induces Intrinsic Fluorescence

Angewandte Chemie (2025)

Debarshi Banerjee | Sonika Chibh | Om Shanker Tiwari | Gonzalo Díaz Mirón | Marta Monti | Hadar R. Yakir | Shweta Pawar | Dror Fixler | Linda J. W. Shimon | Ehud Gazit | Ali Hassanali

Preprint

2025

Acid Base Chemistry of Short Hydrogen Bonds: A Tale of Schr\'odinger's Cat in Glutamine-Derived Crystals

Muhammad Nawaz Qaisrani | Nandha Kumar | Christian Dreßler | Ralph Gebauer | Ali Hassanali

Preprint

2025

Interplay of entanglement structures and stabilizer entropy in spin models

Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito

Journal article

2025

Computational Simulations and Strategies for Optimal Hydrogen Storage Materials Design

PRX Energy (2025)

Vikram Mahamiya | Alok Shukla | Abhishek Kumar Adak | Hoonkyung Lee | Nicola Seriani | Ralph Gebauer

Journal article

2025

Monitored long-range interacting systems: spin-wave theory for quantum trajectories

Nature Communications (2025)

Zejian Li | Anna Delmonte | Xhek Turkeshi | Rosario Fazio

Preprint

2025

Chiral Gravitons on the Lattice

Hernan B. Xavier | Zeno Bacciconi | Titas Chanda | Dam Thanh Son | Marcello Dalmonte

Preprint

2025

Family-Vicsek universality of the binary intrinsic dimension of nonequilibrium data

Roberto Verdel | Devendra Singh Bhakuni | Santiago Acevedo

Journal article

2025

Data-Driven Discovery of the Origins of UV Absorption in the Alpha-3C Protein

The Journal of Physical Chemistry B (2025)

Germaine Neza Hozana | Gonzalo Díaz Mirón | Ali Hassanali

Preprint

2025

Local vs non-local dynamics in cavity-coupled Rydberg atom arrays

Zeno Bacciconi | Hernan B. Xavier | Matteo Marinelli | Devendra Singh Bhakuni | Marcello Dalmonte

Journal article

2025

Measurement-induced phase transitions in monitored infinite-range interacting systems

Physical Review Research (2025)

Anna Delmonte | Zejian Li | Gianluca Passarelli | Eric Yilun Song | Diego Barberena | Ana Maria Rey | Rosario Fazio

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All publications

Journal article

1999

Charge-density waves and surface Mott insulators for adlayer structures on semiconductors: Extended Hubbard modeling

Physical Review B-solid State (1999)

Tosatti, E | Scandolo, S | Santoro, G

Journal article

1999

Dipole-quadrupole interactions and the nature of phase III of compressed hydrogen

Physical Review Letters (1999)

Tosatti, E | de Gironcoli, S | Scandolo, S | Kohanoff, J

Journal article

1999

Elasticity and mechanical instabilities of diamond at megabar stresses: Implications for diamond-anvil-cell research

Applied Physics Letters (1999)

Tosatti, E | Chiarotti, GL | Kohanoff, J | Scandolo, S | Zhao, JJ

Journal article

1999

Structural and compositional dependences of the schottky barrier in (formula presented) and (110) junctions

Physical Review B - Condensed Matter and Materials Physics (1999)

Bardi, J. | Binggeli, N. | Baldereschi, A.

Journal article

1999

Deriving accurate work functions from thin-slab calculations

Journal of Physics Condensed Matter (1999)

Fall, C.J. | Binggeli, N. | Baldereschi, A.

Journal article

1999

Local work function around sharp aluminum facet edges

Computer Physics Communications (1999)

Fall, Caspar J. | Binggeli, N. | Baldereschi, A.

Journal article

1999

Numerical investigation of Schottky barriers at Al/GaAlAs interfaces

Computer Physics Communications (1999)

Bardi, J. | Binggeli, N. | Baldereschi, A.

Journal article

1999

Local density of states in superconductor-ferromagnetic hybrid systems

Europhysics Letters (1999)

Fazio, R | Lucheroni, C

Journal article

1999

Properties of superconductor-Luttinger-liquid hybrid systems

Superlattices and Microstructures (1999)

Fazio, R | Hekking, FWJ | Odintsov, AA | Raimondi, R

Journal article

1999

Fidelity and leakage of Josephson qubits

Physical Review Letters (1999)

Fazio, R | Palma, GM | Siewert, J

Journal article

1998

Electronic topological transition in 2D electron system on a square lattice as a motor for the 'strange-metal' behaviour in high-T-c cuprates

Journal of Physics and Chemistry of Solids (1998)

Kisselev, M. | Onufrieva, F. | Pfeuty, P.

Journal article

1998

Paramagnetic labeling as a method for the soft spectroscopy of electronic states

Journal of Experimental and Theoretical Physics (1998)

Kiselev, M. N. | Mishchenko, A. S.

Journal article

1998

Effective action for the Kondo lattice model. New approach for S=1/2

ArXiv (1998)

Bouis, F. | Kiselev, M.N.

Journal article

1998

First principles calculations of charge and spin density waves of root 3-adsorbates on semiconductors

Surface Science (1998)

Tosatti, E | Serra, S | Santoro, G | Chiarotti, GL | Ancilotto, F | Scandolo, S

Journal article

1998

Interchain states and the negative electron affinity of polyethylene

98 ANNUAL REPORT CONFERENCE ON ELECTRICAL INSULATION AND DIELECTRIC PHENOMENA, VOLS 1 AND 2 (1998)

Albertini, M | Santoro, G | Scandolo, S | Iarlori, S | Tosatti, E | Serra, S

Journal article

1998

Metallic charge density waves and surface Mott insulators for adlayer structures on semiconductors: extended Hubbard modeling

Surface Science (1998)

Tossatti, E | Scandolo, S | Becca, F | Sorella, S | Santoro, G

Journal article

1998

Pressure-induced magnetic collapse and metallization of molecular oxygen: The zeta-O-2 phase

Physical Review Letters (1998)

Tosatti, E | Scandolo, S | Chiarotti, G | Serra, S

Journal article

1998

Atomic and electronic structure of ideal and reconstructed alpha-Sn (100) surfaces

Physical Review B-solid State (1998)

Tosatti, E | Scandolo, S | Chiarotti, GL | Lu, ZY

Journal article

1998

Solid molecular phases of Hydrogen via constant-pressure first-principles Molecular Dynamics

Materials Research Society Symposium - Proceedings (1998)

Scandolo, S | Kohanoff, J

Journal article

1998

Decomposition and polymerization of solid carbon monoxide under pressure

Physical Review Letters (1998)

Tosatti, E | Scandolo, S | Chiarotti, GL | Bernard, S

Journal article

1998

Theory of the 2 x 2 and 3 x 3 reconstructions of the alpha-Sn(111) surface

Nuovo Cimento Della Societa Italiana di Fisica D-condensed Matter Atomic Molecular and Chemical Physics Fluids Plasmas Biophysics (1998)

Tosatti, E | Scandolo, S | Chiarotti, GL | Lu, ZY

Journal article

1998

Modeling the properties of quartz with clusters

Solid State Communications (1998)

Chelikowsky, J.R. | Binggeli, N.

Journal article

1998

A new phase and pressure induced amorphization in silica

Physical Review Letters (1998)

Wentzcovitch, R.M. | Da Silva, C. | Chelikowsky, J.R. | Binggeli, N.

Journal article

1998

Al/ZnSe(100) Schottky-barrier height versus initial ZnSe surface reconstruction

Physical Review B - Condensed Matter and Materials Physics (1998)

Lazzarino, M. | Scarel, G. | Rubini, S. | Bratina, G. | Sorba, L. | Franciosi, A. | Berthod, C. | Binggeli, N. | Baldereschi, A.

Journal article

1998

Anomaly in the anisotropy of the aluminum work function

Physical Review B - Condensed Matter and Materials Physics (1998)

Fall, C. | Binggeli, N. | Baldereschi, A.

Journal article

1998

Band engineering at interfaces: Theory and numerical experiments

Journal of Physics D: Applied Physics (1998)

Peressi, M. | Binggeli, N. | Baldereschi, A.

Journal article

1998

Formation energy, lattice relaxation, and electronic structure of junctions

Physical Review B - Condensed Matter and Materials Physics (1998)

Berthod, C. | Binggeli, N. | Baldereschi, A.

Journal article

1998

Small superconducting grain in the canonical ensemble

Physical Review Letters (1998)

Mastellone, A | Falci, G | Fazio, R

Journal article

1998

Anomalous thermal transport in quantum wires

Physical Review Letters (1998)

Fazio, R | Hekking, FWJ | Khmelnitskii, DE

Journal article

1998

Flux noise near the Berezinskii-Kosterlitz-Thouless transition

Jetp Letters (1998)

Wagenblast, KH | Fazio, R

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