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View the latest research published by CMSP scientists.

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

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

Nature Communications (2025)

Zejian Li | Anna Delmonte | Xhek Turkeshi | Rosario Fazio

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

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

Journal article

2025

Breaking of Lorentz invariance caused by the interplay between spin-orbit interaction and transverse phonon modes in quantum wires

Physical Review Research (2025)

D. V. Efremov | Weyner Ccuiro | Luis E. F. Foa Torres | M. N. Kiselev

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All publications

Journal article

2003

Decoherence in a Cooper pair shuttle

Physical Review B (2003)

Romito, A | Plastina, F | Fazio, R

Journal article

2003

Non-Abelian holonomies, charge pumping, and quantum computation with Josephson junctions

Physical Review Letters (2003)

Faoro, L | Siewert, J | Fazio, R

Journal article

2003

Dynamics of entanglement in quantum computers with imperfections

Physical Review Letters (2003)

Montangero, S | Benenti, G | Fazio, R

Journal article

2003

Parity-dependent Kondo effect in ultrasmall metallic grains

Europhysics Letters (2003)

Franzese, G | Raimondi, R | Fazio, R

Journal article

2002

Ginzburg-Landau functional for nearly antiferromagnetic perfect and disordered Kondo lattices

Physical Review B (2002)

Kikoin, K. | Kiselev, M. | Oppermann, R.

Journal article

2002

Screening effects in Kondo lattices with quenched disorder

Physica B-Condensed Matter (2002)

Kiselev, M. | Oppermann, R.

Journal article

2002

Spin correlations in Kondo lattices

Physica B-Condensed Matter (2002)

Kikoin, K. | Kiselev, M.

Journal article

2002

Density functional theory of solvation in a polar solvent: Extracting the functional from homogeneous solvent simulations

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics (2002)

Ramirez, R. | Gebauer, R. | Mareschal, M. | Borgis, D.

Journal article

2002

Slow relaxation, confinement, and solitons

Physical Review Letters (2002)

Schulman, L.S. | Mihóková, E. | Scardicchio, A. | Facchi, P. | Nikl, M. | Polák, K. | Gaveau, B.

Journal article

2002

Zeno dynamics yields ordinary constraints

Physical Review A. Atomic, Molecular, and Optical Physics (2002)

Facchi, P. | Pascazio, S. | Scardicchio, A. | Schulman, L.S.

Journal article

2002

Classical and quantum dynamics of a particle constrained on a circle

Physics Letters, Section A: General, Atomic and Solid State Physics (2002)

Scardicchio, A.

Journal article

2002

Molecular simulations break the ice

Physics World (2002)

Tosatti, E | Scandolo, S

Journal article

2002

Pressure-induced structural changes in liquid SiO(2) from ab initio simulations

Physical Review Letters (2002)

Car, R | Pasquarello, A | Scandolo, S | Tangney, P | Trave, A

Journal article

2002

Self-trapping vs. non-trapping of electrons and holes in organic insulators: polyethylene

Chemical Physics Letters (2002)

Santoro, GE | Righi, MC | Scandolo, S | Tosatti, E | Iarlori, S | Serra, S

Journal article

2002

An ab initio parametrized interatomic force field for silica

The Journal of Chemical Physics (2002)

Scandolo, S | Tangney, P

Journal article

2002

Disproportionation phenomena on free and strained Sn/Ge(111) and Sn/Si(111) surfaces

Physical Review Letters (2002)

Tosatti, E | Santoro, GE | Scandolo, S | de Gironcoli, S | Profeta, G | Ballabio, G

Journal article

2002

How well do Car-Parrinello simulations reproduce the Born-Oppenheimer surface? Theory and examples

The Journal of Chemical Physics (2002)

Scandolo, S | Tangney, P

Journal article

2002

Work functions and surface charges at metallic facet edges

Physical Review B - Condensed Matter and Materials Physics (2002)

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

Journal article

2002

Theoretical maps of work-function anisotropies

Physical Review B - Condensed Matter and Materials Physics (2002)

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

Journal article

2002

Work Functions at Facet Edges

Physical Review Letters (2002)

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

Journal article

2002

Ultraefficient cooling in ferromagnet-superconductor microrefrigerators

Applied Physics Letters (2002)

Giazotto, F | Taddei, F | Fazio, R | Beltram, F

Journal article

2002

Entanglement detection in Josephson nanocircuits

Journal of Modern Optics (2002)

Plastina, F | Fazio, R | Palma, GM

Journal article

2002

Holonomic quantum computation with Josephson networks

Physica Status Solidi B-Basic Research (2002)

Siewert, J | Faoro, L | Fazio, R

Journal article

2002

Implementation of the Deutsch-Jozsa algorithm with Josephson charge qubits

Journal of Modern Optics (2002)

Siewert, J | Fazio, R

Journal article

2002

Positive cross-correlations induced by ferromagnetic contacts

Physical Review B (2002)

Taddei, F | Fazio, R

Journal article

2002

Counting statistics for entangled electrons

Physical Review B (2002)

Taddei, F | Fazio, R

Journal article

2002

Scaling of entanglement close to a quantum phase transition

Nature (2002)

Osterloh, A | Amico, L | Falci, G | Fazio, R

Journal article

2002

Decoherence and 1/f noise in Josephson qubits

Physical Review Letters (2002)

Paladino, E | Faoro, L | Falci, G | Fazio, R

Journal article

2001

Ideal unreactive metal/semiconductor interfaces: The case of Zn/ZnSe(001)

Physical Review B (2001)

S. Rubini | E. Pelucchi | M. Lazzarino | D. Kumar | A. Franciosi | C. Berthod | N. Binggeli | A. Baldereschi

Journal article

2001

Semi-fermionic representation of SU(N) Hamiltonians

European Physical Journal B (2001)

Feldmann, H. | Kiselev, M. N. | Oppermann, R.

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