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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
2005
Structural and electronic properties of LaMnO 3 under pressure: An ab initio LDA+U study
Physical Review B - Condensed Matter and Materials Physics (2005)
Trimarchi, G. | Binggeli, N.
Journal article
2005
One-dimensional Fe surface states confined by self-assembled carbon chains at the Fe(001) surface
Physical Review B (2005)
G. Trimarchi | N. Binggeli
Journal article
2005
Resonant soft x-ray scattering investigation of orbital and magnetic ordering in La0.5Sr1.5MnO4
Physical Review B (2005)
S. B. Wilkins | N. Stojić | T. A. W. Beale | N. Binggeli | C. W. M. Castleton | P. Bencok | D. Prabhakaran | A. T. Boothroyd | P. D. Hatton | M. Altarelli
Journal article
2005
Mn L2,3 edge resonant x-ray scattering in manganites: Influence of the magnetic state
Physical Review B (2005)
N. Stojic | N. Binggeli | M. Altarelli
Journal article
2005
Thermopower of a Kondo-correlated quantum dot
ArXiv (2005)
Scheibner, R. | Buhmann, H. | Reuter, D. | Kiselev, M.N. | Molenkamp, L.W.
Journal article
2005
Spin gap in a spiral staircase model
Physica B-Condensed Matter (2005)
Aristov, D. N. | Kikoin, K. | Kiselev, M. N.
Journal article
2005
Thermopower of a Kondo spin-correlated quantum dot
Physical Review Letters (2005)
Buhmann, H. | Kiselev, M. N. | Molenkamp, L. W. | Reuter, D. | Scheibner, R.
Book
2005
Mesoscopic superconductivity: Andreev interferometry for pumped currents
Realizing Controllable Quantum States: Mesoscopic Superconductivity and Spintronics - In the Light of Quantum Computation (2005)
Taddei, F. | Governale, M. | Fazio, R.
Book
2005
Quantum information processing in solid states: Josephson arrays as quantum channels
Realizing Controllable Quantum States: Mesoscopic Superconductivity and Spintronics - In the Light of Quantum Computation (2005)
Romito, A. | Bruder, C. | Fazio, R.
Book
2005
Statistical Mechanics: Quantum
Encyclopedia of Condensed Matter Physics (2005)
Fazio, R. | Piccitto, G.
Book
2005
Geometric phases in superconducting nanocircuits
Les Houches Summer School Proceedings (2005)
Fazio, R.
Book
2005
Mesoscopic superconductivity with unconventional superconductor or ferromagnet: Ultraefficient microrefrigerators realized with ferromagnet-superconductor junctions
Realizing Controllable Quantum States: Mesoscopic Superconductivity and Spintronics - In the Light of Quantum Computation (2005)
Giazotto, F. | Taddei, F. | Fazio, R. | Beltram, F.
Journal article
2005
Density functional theory of the electrical conductivity of molecular devices
Physical Review Letters (2005)
Burke, K. | Car, R. | Gebauer, R.
Journal article
2005
Electron transport with dissipation: A quantum kinetic approach
International Journal of Quantum Chemistry (2005)
Gebauer, R. | Car, R.
Journal article
2005
Erratum: Density functional theory of the electrical conductivity of molecular devices (Physical Review Letters (2005) 94 (146803))
Physical Review Letters (2005)
Burke, K. | Car, R. | Gebauer, R.
Journal article
2005
Quantum collision current in electronic circuits
ChemPhysChem (2005)
Gebauer, R. | Piccinin, S. | Car, R.
Journal article
2005
Casimir buoyancy
Journal of High Energy Physics (2005)
Jaffe, R.L. | Scardicchio, A.
Journal article
2005
Casimir dynamics: Interactions of surfaces with codimension >1 due to quantum fluctuations
Physical Review D - Particles, Fields, Gravitation and Cosmology (2005)
Scardicchio, A.
Journal article
2005
Casimir effects: An optical approach I. Foundations and examples
Nuclear Physics B (2005)
Scardicchio, A. | Jaffe, R.L.
Journal article
2005
Casimir energy for a hyperboloid facing a plate in the optical approximation
Physical Review A - Atomic, Molecular, and Optical Physics (2005)
Schrder, O. | Scardicchio, A. | Jaffe, R.L.
Journal article
2005
Attractive Casimir forces in a closed geometry
Physical Review Letters (2005)
Hertzberg, M.P. | Jaffe, R.L. | Kardar, M. | Scardicchio, A.
Journal article
2005
An effective pseudopotential for modeling gold surface slabs for ab initio simulations
ChemPhysChem (2005)
Scandolo, S | Mazzarello, R | Rousseau, R
Journal article
2005
Metal work-function changes induced by organic adsorbates: A combined experimental and theoretical study
Physical Review Letters (2005)
del Pennino, U | Scandolo, S | Biagi, R | Marchetto, D | Rousseau, R | De Renzi, V
Journal article
2005
Carbon phase diagram from ab initio molecular dynamics
Physical Review Letters (2005)
Car, R | Scandolo, S | Wang, XF
Journal article
2005
Orientational ordering of ortho-para mixtures of crystals of homonuclear diatomic molecules: Theoretical evidence for reentrance
Journal of Low Temperature Physics (2005)
Tosatti, E | Scandolo, S | Hetenyi, B
Journal article
2005
Computational materials science meets geophysics: dislocations and slip planes of MgO
Computer Physics Communications (2005)
Scandolo, S | Miranda, CR
Journal article
2005
Oxides Under Pressure: from Densified Silica to the Rheology of the Earth's Mantle
Acta Crystallographica Section A: Foundations and Advances (2005)
Scandolo, Sandro
Journal article
2005
Dimerization of CO2 at high pressure and temperature
ChemPhysChem (2005)
Tosatti, E | Scandolo, S | Rousseau, R | Chiarotti, GL | Tassone, F
Journal article
2005
Surface trapped excess electrons on ice
Physical Review Letters (2005)
Scandolo, S | Cavazzoni, C | Baletto, F
Journal article
2005
Exciton self-trapping in bulk polyethylene
Journal of Physics: Condensed Matter (2005)
Serra, S | Santoro, G | Scandolo, S | Tosatti, E | Righi, MC | Ceresoli, D

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