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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

2010

Spin and charge correlations in quantum dots: An exact solution

Jetp Letters (2010)

Burmistrov, I. S. | Gefen, Yu | Kiselev, M. N.

Journal article

2010

Thermoelectric transport through a quantum dot: Effects of asymmetry in Kondo channels

Physical Review B (2010)

Kiselev, M. N. | Kravtsov, V. E. | Nguyen, T. K. T.

Journal article

2010

Asymmetric spin-1/2 two-leg ladders: Analytical studies supported by exact diagonalization, DMRG, and Monte Carlo simulations

Physical Review B (2010)

Alet, F. | Aristov, D. N. | Assaad, F. F. | Bruenger, C. | Capponi, S. | Kiselev, M. N. | Weichselbaum, A.

Journal article

2010

Erratum: Publisher's Note: Signatures of the superfluid-insulator phase transition in laser-driven dissipative nonlinear cavity arrays (Physical Review A - Atomic, Molecular, and Optical Physics (2010) 81 (061801))

Physical Review A - Atomic, Molecular, and Optical Physics (2010)

Tomadin, A. | Giovannetti, V. | Fazio, R. | Gerace, D. | Carusotto, I. | Tureci, H.E. | Imamoglu, A.

Journal article

2010

Many-body phenomena in QED-cavity arrays [Invited]

Journal of the Optical Society of America B: Optical Physics (2010)

Tomadin, A. | Fazio, R.

Journal article

2010

The Dissociated Amorphous Silica Surface: Model Development and Evaluation.

Journal of chemical theory and computation (2010)

Hassanali AA | Zhang H | Knight C | Shin YK | Singer SJ

Journal article

2010

Computational approaches to charge transfer excitations in a zinc tetraphenylporphyrin and C70 complex

Journal of Chemical Physics (2010)

Ghosh, P. | Gebauer, R.

Journal article

2010

Effects of potassium on the supramolecular structure and electronic properties of eumelanin thin films

Langmuir (2010)

Borghetti, P. | Goldoni, A. | Castellarin-Cudia, C. | Casalis, L. | Herberg, F. | Floreano, L. | Cossaro, A. | Verdini, A. | Gebauer, R. | Ghosh, P. | Sangaletti, L.

Journal article

2010

Harnessing molecular excited states with Lanczos chains

Journal of Physics Condensed Matter (2010)

Baroni, S. | Gebauer, R. | Malcioglu, O.B. | Saad, Y. | Umari, P. | Xian, J.

Journal article

2010

Distribution of partition function zeros of the ± J model on the Bethe lattice

Journal of Physics A: Mathematical and Theoretical (2010)

Matsuda, Y. | Müller, M. | Nishimori, H. | Obuchi, T. | Scardicchio, A.

Journal article

2010

Product, generic, and random generic quantum satisfiability

Physical Review A - Atomic, Molecular, and Optical Physics (2010)

Laumann, C.R. | Läuchli, A.M. | Moessner, R. | Scardicchio, A. | Sondhi, S.L.

Journal article

2010

Random quantum satisfiabiilty

Quantum Information and Computation (2010)

Laumann, C.R. | Moessner, R. | Scardicchio, A. | Sondhi, S.L.

Journal article

2010

Phase transitions and metastability in the distribution of the bipartite entanglement of a large quantum system

Physical Review A - Atomic, Molecular, and Optical Physics (2010)

De Pasquale, A. | Facchi, P. | Parisi, G. | Pascazio, S. | Scardicchio, A.

Journal article

2010

Material progress in Africa

Nature Physics (2010)

Scandolo, Sandro | Martin, Richard M. | Chetty, Nithaya

Journal article

2010

Polarizable interatomic force field for TiO2 parametrized using density functional theory

Physical Review B-solid State (2010)

Tangney, P. | Scandolo, S. | Christie, J. K. | Mueller-Krumbhaar, H. | Dederichs, P. H. | Bergqvist, L. | Han, X. J.

Journal article

2010

CCl4 dissociation on the ice I-h surface: an excess electron mediated process

Physical Chemistry Chemical Physics (2010)

Scandolo, Sandro | Baletto, Francesca | Diep, Vinh P. | Finn, James M. | Bhattacharya, Somesh Kr.

Journal article

2010

FIRST-PRINCIPLES MOLECULAR DYNAMICS AND APPLICATIONS IN PLANETARY SCIENCE

Nanotechnological Basis for Advanced Sensors (2010)

Scandolo, Sandro

Journal article

2010

Gypsum under pressure: A first-principles study

Physical Review B-solid State (2010)

Scandolo, Sandro | Giacomazzi, Luigi

Journal article

2010

High-pressure vibrational properties of polyethylene

The Journal of Chemical Physics (2010)

Scandolo, Sandro | Vinh, Diep Q. | Bini, Roberto | Santoro, Mario | Fontana, Luca

Journal article

2010

Temperature dependence of surface stress across an order-disorder transition: P (1×2 ) O/W (110 )

Physical Review B - Condensed Matter and Materials Physics (2010)

Stojić, N. | Menteş, T.O. | Binggeli, N. | Niño, M.A. | Locatelli, A. | Bauer, E.

Journal article

2010

The electron density decay length effect on surface reactivity

Journal of Physics: Condensed Matter (2010)

L Aballe | A Barinov | N Stojić | N Binggeli | T O Mentes | A Locatelli | M Kiskinova

Journal article

2010

Computation of correlation-induced atomic displacements and structural transformations in paramagnetic KCuF3 and LaMnO3

Physical Review B - Condensed Matter and Materials Physics (2010)

Leonov, I. | Korotin, D. | Binggeli, N. | Anisimov, V.I. | Vollhardt, D.

Journal article

2010

Influence of the interface atomic structure on the magnetic and electronic properties of La <inf>2/3</inf> Sr <inf>1/3</inf> MnO <inf>3</inf> / SrTiO <inf>3</inf> (001 ) heterojunctions

Physical Review B - Condensed Matter and Materials Physics (2010)

Zheng, B. | Binggeli, N.

Journal article

2010

Magnetism at the V/Gd interface

Journal of Physics Condensed Matter (2010)

Mouketo, L. | Binggeli, N. | M'Passi-Mabiala, B.

Journal article

2010

Structural properties and energetics of intrinsic and Si-doped GaAs nanowires: First-principles pseudopotential calculations

Physical Review B - Condensed Matter and Materials Physics (2010)

Ghaderi, N. | Peressi, M. | Binggeli, N. | Akbarzadeh, H.

Journal article

2010

Resonant coupling of a SQUID to a mechanical resonator

Epl (2010)

Pugnetti, S. | Blanter, Y. M. | Fazio, R.

Journal article

2010

Electronic implementations of interaction-free measurements

Physical Review B (2010)

Chirolli, L. | Strambini, E. | Giovannetti, V. | Taddei, F. | Piazza, V. | Fazio, R. | Beltram, F. | Burkard, G.

Journal article

2010

Signatures of the superfluid-insulator phase transition in laser-driven dissipative nonlinear cavity arrays

Physical Review a (2010)

Tomadin, A. | Giovannetti, V. | Fazio, R. | Gerace, D. | Carusotto, I. | Tureci, H. E. | Imamoglu, A.

Journal article

2010

Entanglement renormalization and boundary critical phenomena

Journal of Statistical Mechanics-Theory and Experiment (2010)

Silvi, P. | Giovannetti, V. | Calabrese, P. | Santoro, G. E. | Fazio, R.

Journal article

2010

Blockade and Counterflow Supercurrent in Exciton-Condensate Josephson Junctions

Physical Review Letters (2010)

Dolcini, Fabrizio | Rainis, Diego | Taddei, Fabio | Polini, Marco | Fazio, Rosario | MacDonald, A. H.

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