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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
2001
Spatial-dispersion and relativistic effects in the optical sum rules
The European Physical Journal B (2001)
Lucarini, V | Bassani, F | Scandolo, S
Journal article
2001
Surface charge density waves and the Mott insulators for root 3 x root 3 adlayers on (111) semiconductor surfaces
Computational Materials Science (2001)
Tosatti, E | Scandolo, S | Santoro, G
Journal article
2001
Surface states and negative electron affinity in polyethylene
Physical Review Letters (2001)
Santoro, G | Tosatti, E | Iarlori, S | Serra, S | Scandolo, S | Righi, MC
Journal article
2001
Ideal unreactive metal/semiconductor interfaces: The case of Zn/ZnSe(001)
Physical Review B - Condensed Matter and Materials Physics (2001)
Rubini, S. | Pelucchi, E. | Lazzarino, M. | Kumar, D. | Franciosi, A. | Berthod, C. | Binggeli, N. | Baldereschi, A.
Journal article
2001
Influence of surface morphology on the Si(100) and (111) ionization potentials
Physical Review B - Condensed Matter and Materials Physics (2001)
Sgiarovello, C. | Binggeli, N. | Baldereschi, A.
Journal article
2001
Band-offset trends in nitride heterojunctions
Physical Review B - Condensed Matter and Materials Physics (2001)
Binggeli, N. | Ferrara, P. | Baldereschi, A.
Journal article
2001
Ideal unreactive metal/semiconductor interfaces: The case of (formula presented)
Physical Review B - Condensed Matter and Materials Physics (2001)
Rubini, S. | Pelucchi, E. | Lazzarino, M. | Kumar, D. | Franciosi, A. | Berthod, C. | Binggeli, N. | Baldereschi, A.
Journal article
2001
Thermoelectric effects in Kondo-correlated quantum dots
Europhysics Letters (2001)
Boese, D | Fazio, R
Journal article
2001
Macroscopic entanglement in Josephson nanocircuits
Physical Review B (2001)
Plastina, F | Fazio, R | Palma, GM
Journal article
2001
Quantum algorithms for Josephson networks
Physical Review Letters (2001)
Siewert, J | Fazio, R
Journal article
2001
Quantum phase transitions and vortex dynamics in superconducting networks
Physics Reports-Review Section of Physics Letters (2001)
Fazio, R | van der Zant, H
Journal article
2001
Shot noise for resonant Cooper pair tunneling
Physical Review Letters (2001)
Choi, MS | Plastina, F | Fazio, R
Journal article
2001
Coherent oscillations in a Cooper-pair box
Europhysics Letters (2001)
Choi, MS | Fazio, R | Siewert, J | Bruder, C
Journal article
2001
The BCS model and the off-shell Bethe ansatz for vertex models
Journal of Physics a-Mathematical and General (2001)
Amico, L | Falci, G | Fazio, R
Journal article
2001
Geometric quantum computation with Josephson qubits
Physica C (2001)
Falci, G | Fazio, R | Palma, GM | Siewert, J | Vedral, V
Journal article
2000
Oxygen configurations in silica
Physical Review B (2000)
James R. Chelikowsky | D. J. Chadi | N. Binggeli
Journal article
2000
Spin - glass transition in Kondo lattice with quenched disorder
ArXiv (2000)
Kiselev, M.N. | Oppermann, R.
Journal article
2000
Spin-glass transition in a Kondo lattice with quenched disorder
Jetp Letters (2000)
Kiselev, M. N. | Oppermann, R.
Journal article
2000
Various ordered states in a 2D interacting electron system close to an electronic topological transition
Physica B (2000)
Bouis, F. | Kiselev, M. N. | Onufrieva, F. | Pfeuty, P.
Journal article
2000
Schwinger-Keldysh semionic approach for quantum spin systems
ArXiv (2000)
Kiselev, M.N. | Oppermann, R.
Journal article
2000
Some consequences of electronic topological transition in 2D system on a square lattice: Excitonic ordered states
European Physical Journal B (2000)
Bouis, F. | Kiselev, M. | Onufrieva, F. | Pfeuty, P.
Journal article
2000
Current-voltage characteristics of NSS transistors
Physica B: Condensed Matter (2000)
Fazio, R. | Schön, G. | Siewert, J.
Journal article
2000
Leakage and fidelity of real qubits
Physica B: Condensed Matter (2000)
Fazio, R. | Palma, G.M. | Sciacca, E. | Siewert, J.
Journal article
2000
Magnons in real materials from density-functional theory
Physical Review B - Condensed Matter and Materials Physics (2000)
Gebauer, R. | Baroni, S.
Journal article
2000
Interchain electron states in polyethylene
Physical Review B-solid State (2000)
Santoro, G | Scandolo, S | Iarlori, S | Tosatti, E | Serra, S
Journal article
2000
The mechanism for the 3 x 3 distortion of Sn/Ge(111)
Surface Science (2000)
Tosatti, E | Santoro, G | Ballabio, G | Scandolo, S | de Gironcoli, S
Journal article
2000
Noncolinear spin polarization from frustrated antiferromagnetism: A possible scenario for molecular oxygen at high pressure
Physical Review B - Condensed Matter and Materials Physics (2000)
Gebauer, R. | Serra, S. | Chiarotti, G. | Scandolo, S. | Baroni, S. | Tosatti, E.
Journal article
2000
root 3X root 3R30 degrees versus adatom-rest-atom phases on (111) semiconductor surfaces
Physical Review B (2000)
Tosatti, E | Scandolo, S | Ballabio, G
Journal article
2000
Optimal basis set for electronic structure calculations in periodic systems
Physical Review B-solid State (2000)
Kohanoff, J | Scandolo, S
Journal article
2000
Physics of iron at Earth's core conditions
Science (2000)
Tosatti, E | Scandolo, S | Chiarotti, GL | Bernard, S | Laio, A

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