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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

2007

Phonon-assisted and magnetic field induced Kondo tunneling in single molecular devices

Journal of Physics: Conference Series (2007)

Kikoin, K. | Kiselev, M. N.

Journal article

2007

Single-pole ladder at quarter filling

Physical Review B (2007)

Aristov, D. N. | Kikoin, K. | Kiselev, M. N.

Journal article

2007

Kondo effect in organometallic complexes with vibrating ligand shells

Journal of Magnetism and Magnetic Materials (2007)

Kikoin, K. | Kiselev, M. N. | Wegewijs, M. R.

Journal article

2007

Can entanglement be extracted from many body systems?

International Journal of Quantum Information (2007)

De Chiara, G. | Brukner, Č. | Palma, G.M. | Fazio, R. | Vedral, V.

Journal article

2007

Model for the water-amorphous silica interface: the undissociated surface.

The journal of physical chemistry. B (2007)

Hassanali AA | Singer SJ

Journal article

2007

Hydration dynamics and time scales of coupled water-protein fluctuations.

Journal of the American Chemical Society (2007)

Li T | Hassanali AA | Kao YT | Zhong D | Singer SJ

Journal article

2007

Electronic excitations in synthetic eumelanin aggregates probed by soft X-ray spectroscopies

Journal of Physical Chemistry B (2007)

Sangaletti, L. | Pagliara, S. | Vilmercati, P. | Castellarin-Cudia, C. | Borghetti, P. | Galinetto, P. | Gebauer, R. | Goldoni, A.

Journal article

2007

Si<inf>x</inf>C<inf>1-x</inf>O<inf>2</inf> alloys: A possible route to stabilize carbon-based silica-like solids?

Solid State Communications (2007)

Aravindh, A. | Arkundato, A. | Barman, S. | Baroni, S. | Bhargava, B.L. | Chandrakumar, K.R.S. | Chen, W. | Cherian, R. | Corso, A.D. | Datta, S. | de Gironcoli, S. | Dhayal, S.S. | Dixit, A.K. | Dutta, S. | D'yachkov, P. ...

Journal article

2007

Ultrasoft pseudopotentials in time-dependent density-functional theory

Journal of Chemical Physics (2007)

Walker, B. | Gebauer, R.

Journal article

2007

Casimir forces in a piston geometry at zero and finite temperatures

Physical Review D - Particles, Fields, Gravitation and Cosmology (2007)

Hertzberg, M.P. | Jaffe, R.L. | Kardar, M. | Scardicchio, A.

Journal article

2007

Test of the anti-de sitter-space/conformal-field-theory correspondence using high-spin operators

Physical Review Letters (2007)

Benna, M.K. | Benvenuti, S. | Klebanov, I.R. | Scardicchio, A.

Journal article

2007

Competition of charge-density waves and superconductivity in sulfur

Physical Review Letters (2007)

Gregoryanz, E. | McMahon, M. I. | Hanfland, M. | Scandolo, S. | Profeta, G. | Kohanoff, J. | Magnitskaya, M. V. | Degtyareva, O.

Journal article

2007

Si,C1-xO2 alloys: A possible route to stabilize carbon-based silica-like solids?

Solid State Communications (2007)

Uthayathasan, T. | Thomas, Tiju | Tarafder, Kartick | Tantirungrotechai, Yuthana | Talati, Mina K. | Srivastava, Vipul | Srirangarajan, Aarti | Simrall, James O. H. | Shanavas, K. V. | Shafai, Ghazal S. | Seal, Prasenjit ...

Journal article

2007

Finite-temperature effects on the stability and infrared spectra of HCl(H2O)(6) clusters

The Journal of Physical Chemistry A (2007)

Scandolo, S. | Baletto, F. | Rousseau, R. | Lee, M. -S. | Ndongmouo, U. F. T.

Journal article

2007

Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements

Physical Review Letters (2007)

Scoles, G. | Morgante, A. | Scandolo, S. | Floreano, L. | Danisman, M. F. | Casalis, L. | Rousseau, R. | Verdini, A. | Cossaro, A. | Mazzarello, R.

Journal article

2007

First-principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 at conditions of the Earth's deep mantle

Journal of Geophysical Research: Solid Earth (2007)

Car, R. | Scandolo, S. | Duffy, T. S. | Wan, J. T. K.

Journal article

2007

Tuning oxygen packing in silica by nonhydrostatic pressure

Physical Review Letters (2007)

Scandolo, Sandro | Miranda, Caetano R. | Liang, Yunfeng

Journal article

2007

High-pressure crystalline polyethylene studied by x-ray diffraction and ab initio simulations

Physical Review B-solid State (2007)

Hanfland, M. | Bini, R. | Gorelli, F. A. | Scandolo, S. | Santoro, M. | Vinh, Diep Q. | Fontana, L.

Journal article

2007

Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations

Physical Review B-solid State (2007)

Scandolo, Sandro | Miranda, Caetano R. | Liang, Yunfeng

Journal article

2007

OsN2: Crystal structure and electronic properties

Applied Physics Letters (2007)

Scandolo, Sandro | Gregoryanz, Eugene | Sanloup, Chrystele | Hernandez, Alexander D. | Montoya, Javier A.

Journal article

2007

Bound entanglement in the XY model

New Journal of Physics (2007)

Patane, D. | Fazio, Rosario | Amico, L.

Journal article

2007

Robust optimal quantum gates for josephson charge qubits

Physical Review Letters (2007)

Montangero, Simone | Calarco, Tommaso | Fazio, Rosario

Journal article

2007

Luther-Emery phase and atomic-density waves in a trapped fermion gas

Physical Review Letters (2007)

Gao, Xianlong | Rizzi, M. | Polini, Marco | Fazio, Rosario | Tosi, M. P. | Campo, V. L., Jr. | Capelle, K.

Journal article

2007

Characterizing electron entanglement in multiterminal mesoscopic conductors

Physical Review B (2007)

Giovannetti, Vittorio | Frustaglia, Diego | Taddei, Fabio | Fazio, Rosario

Journal article

2007

Transport properties of a periodically driven superconducting single-electron transistor

Physical Review B (2007)

Romito, Alessandro | Montangero, Simone | Fazio, Rosario

Journal article

2007

Mott-insulating and glassy phases of polaritons in 1D arrays of coupled cavities

Physical Review Letters (2007)

Rossini, Davide | Fazio, Rosario

Journal article

2007

Decoherence by engineered quantum baths

Journal of Physics a-Mathematical and Theoretical (2007)

Rossini, Davide | Calarco, Tommaso | Giovannetti, Vittorio | Montangero, Simone | Fazio, Rosario

Journal article

2007

dc Josephson effect in metallic single-walled carbon nanotubes

Solid State Communications (2007)

Pugnetti, Stefano | Dolcini, Fabrizio | Fazio, Rosario

Journal article

2007

Nonequilibrium spin-dependent phenomena in mesoscopic superconductor-normal metal tunnel structures

Physical Review B (2007)

Giazotto, Francesco | Taddei, Fabio | D'Amico, Pino | Fazio, Rosario | Beltram, Fabio

Journal article

2007

Decoherence induced by interacting quantum spin baths

Physical Review a (2007)

Rossini, Davide | Calarco, Tommaso | Giovannetti, Vittorio | Montangero, Simone | Fazio, Rosario

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