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View the latest research published by CMSP scientists.

Preprint
2024
Probing false vacuum decay on a cold-atom gauge-theory quantum simulator
Zi-Hang Zhu | Ying Liu | Gianluca Lagnese | Federica Maria Surace | Wei-Yong Zhang | Ming-Gen He | Jad C. Halimeh | Marcello Dalmonte | Siddhardh C. Morampudi | Frank Wilczek | Zhen-Sheng Yuan | Jian-Wei Pan
Journal article
2024
Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors
Journal of Chemical Theory and Computation (2024)
Gonzalo Díaz Mirón | Carlos R. Lien-Medrano | Debarshi Banerjee | Marta Monti | Bálint Aradi | Michael A. Sentef | Thomas A. Niehaus | Ali Hassanali
Preprint
2024
Stabilizer disentangling of conformal field theories
Martina Frau | Poetri Sonya Tarabunga | Mario Collura | Emanuele Tirrito | Marcello Dalmonte
Journal article
2024
Revisiting the Enhanced Chemical Reactivity in Water Microdroplets: The Case of a Diels–Alder Reaction
Journal of the American Chemical Society (2024)
Ke Gong | Abhijit Nandy | Zhexuan Song | Quan-Song Li | Ali Hassanali | Giuseppe Cassone | Shibdas Banerjee | Jing Xie
Preprint
2024
Theory of fractional quantum Hall liquids coupled to quantum light and emergent graviton-polaritons
Zeno Bacciconi | Hernan Xavier | Iacopo Carusotto | Titas Chanda | Marcello Dalmonte
Journal article
2024
Chirality- and Rashba- related effects in the spin texture of a two-dimensional centrosymmetric ferromagnet: The case of the CrI3 bilayer
Journal of Magnetism and Magnetic Materials (2024)
Sukanya Ghosh | Nataša Stojić | Nadia Binggeli
Journal article
2024
Inducing out-of-plane magnetic anisotropy by chemical substitutions in the multiferroic CuCrP2S6 monolayer
Physical Review B (2024)
Anita Yadav | Nataša Stojić | Nadia Binggeli
Journal article
2024
Entanglement – nonstabilizerness separation in hybrid quantum circuits
Physical Review Research (2024)
Gerald E. Fux | Emanuele Tirrito | Marcello Dalmonte | Rosario Fazio
Journal article
2024
Dissecting the hydrogen bond network of water: charge transfer and nuclear quantum effects
Science (2024)
Damien Laage | Ali Hassanali | Sylvie Roke | Giuseppe Cassone | David M. Wilkins | Mischa Flór | Miguel de la Puente
Journal article
2024
First-principles description of solid oxygen in the gigapascal pressure scale using the DFT+vdW+U approach
Physical Review B (2024)
M.-B. Attaiaa | M. Micoulaut | S. Klotz | S. Scandolo
Preprint
2024
Data-Driven Discovery of the Origins of UV Absorption in Alpha-3C Protein
Germaine Neza Hozana | Gonzalo Díaz Mirón | Ali Hassanali
Preprint
2024
Disentangling unitary dynamics with classically simulable quantum circuits
Gerald E. Fux | Benjamin Béri | Rosario Fazio | Emanuele Tirrito

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All publications
Journal article
2024
How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH3
Physical Chemistry Chemical Physics (2024)
Hua-Jian Tan | Rutong Si | Xi-Bo Li | Zhen-Kun Tang | Xiao-Lin Wei | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Journal article
2024
The Role of Water Molecules on Polaron Behavior at Rutile (110) Surface: A Constrained Density Functional Theory Study
The Journal of Physical Chemistry Letters (2024)
Yun-Bo Li | Rutong Si | Bo Wen | Xiao-Lin Wei | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Journal article
2024
Biaxial compressive strain enhances calcium binding and mobility on two-dimensional Sc2C: a density functional theory investigation
Physical Chemistry Chemical Physics (2024)
Darwin B. Putungan | Christian Loer T. Llemit | Alexandra B. Santos-Putungan | Roland V. Sarmago | Ralph Gebauer
Preprint
2024
Nonstabilizerness via matrix product states in the Pauli basis
Poetri Sonya Tarabunga | Emanuele Tirrito | Mari Carmen Bañuls | Marcello Dalmonte
Journal article
2024
Nonstabilizerness via Matrix Product States in the Pauli Basis
Physical Review Letters (2024)
Poetri Sonya Tarabunga | Emanuele Tirrito | Mari Carmen Bañuls | Marcello Dalmonte
Journal article
2024
Beyond Local Structures in Critical Supercooled Water through Unsupervised Learning
The Journal of Physical Chemistry Letters (2024)
Edward Danquah Donkor | Adu Offei-Danso | Alex Rodriguez | Francesco Sciortino | Ali Hassanali
Journal article
2024
Tailoring Magnetic Anisotropy in Ultrathin Cobalt by Surface Carbon Chemistry
Advanced Electronic Materials (2024)
Carlo Alberto Brondin | Sukanya Ghosh | Saikat Debnath | Francesca Genuzio | Pietro Genoni | Matteo Jugovac | Stefano Bonetti | Nadia Binggeli | Nataša Stojić | Andrea Locatelli | Tevfik Onur Menteş
Preprint
2024
Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method
Gonzalo Díaz Mirón | Carlos R. Lien-Medrano | Debarshi Banerjee | Uriel N. Morzan | Michael A. Sentef | Ralph Gebauer | Ali Hassanali
Journal article
2024
Measurement induced transitions in non-Markovian free fermion ladders
SciPost Physics Core (2024)
Mikheil Tsitsishvili | Dario Poletti | Marcello Dalmonte | Giuliano Chiriacò
Journal article
2024
Topological Kolmogorov complexity and the Berezinskii-Kosterlitz-Thouless mechanism
Physical Review E (2024)
Vittorio Vitale | Tiago Mendes-Santos | Alex Rodriguez | Marcello Dalmonte
Journal article
2023
Fluctuations and stability of a fast-driven Otto cycle
Rosario Fazio
Journal article
2023
Full counting statistics as probe of measurement-induced transitions in the quantum Ising chain
SciPost Physics (2023)
Emanuele Tirrito | Alessandro Santini | Rosario Fazio | Mario Collura
Journal article
2023
Influence of defects on the valley polarization properties of monolayer MoS2 grown by chemical vapor deposition
Physical Review B (2023)
Faiha Mujeeb | Poulab Chakrabarti | Vikram Mahamiya | Alok Shukla | Subhabrata Dhar
Journal article
2023
An ab initio study of catechol sensing in pristine and transition metal decorated γ-graphyne
Nanotechnology (2023)
Dewangan, Juhee | Mahamiya, Vikram | Shukla, Alok | Chakraborty, Brahmananda
Journal article
2023
Lithium decorated ψ-graphene as a potential hydrogen storage material: Density functional theory investigations
International Journal of Hydrogen Energy (2023)
Dewangan, Juhee | Mahamiya, Vikram | Shukla, Alok | Chakraborty, Brahmananda
Journal article
2023
Reversible hydrogen adsorption in Ti-functionalized porous holey graphyne: Insights from first-principles calculation
Energy Storage (2023)
Dewangan, Juhee | Mahamiya, Vikram | Shukla, Alok | Chakraborty, Brahmananda
Journal article
2023
β-Bi2O3–Bi2WO6 Nanocomposite Ornated with meso-Tetraphenylporphyrin: Interfacial Electrochemistry and Photoresponsive Detection of Nanomolar Hexavalent Cr
Inorganic Chemistry (2023)
Sunanda Pal | Vikram Mahamiya | Purbali Ray | Abhimanyu Sarkar | Farhin Sultana | Bibhutosh Adhikary | Brahmananda Chakraborty | Bibhutibhushan Show
Journal article
2023
Defect-driven tunable electronic and optical properties of two-dimensional silicon carbide
Physical Review B (2023)
Arushi Singh | Vikram Mahamiya | Alok Shukla
Journal article
2023
A feasible path for the use of ferromagnetic josephson junctions in quantum circuits: The ferro-transmon
Rosario Fazio
Journal article
2023
Quantum effects on the synchronization dynamics of the Kuramoto model
Physical Review A (2023)
Anna Delmonte | Alessandro Romito | Giuseppe Ernesto Santoro | Rosario Fazio
Journal article
2023
Competition of Quasiparticles and Magnetization Noise in Hybrid Ferromagnetic Transmon Qubits
Rosario Fazio
Journal article
2023
Thermodynamic uncertainty relations for systems with broken time reversal symmetry: The case of superconducting hybrid systems
Rosario Fazio
Journal article
2023
First-order transitions in spin chains coupled to quantum baths
Rosario Fazio
Journal article
2023
Deep learning nonlocal and scalable energy functionals for quantum Ising models
Physical Review B (2023)
EMANUELE COSTA | R. Fazio | Sebastiano PILATI
Journal article
2023
Signatures of Dissipation Driven Quantum Phase Transition in Rabi Model
Physical Review Letters (2023)
G. De Filippis | A. de Candia | G. Di Bello | C. A. Perroni | L. M. Cangemi | A. Nocera | M. Sassetti | R. Fazio | V. Cataudella
Journal article
2023
Crafting the dynamical structure of synchronization by harnessing bosonic multilevel cavity QED
Physical Review Research (2023)
Riccardo J. Valencia-Tortora | Shane P. Kelly | Tobias Donner | Giovanna Morigi | Rosario Fazio | Jamir Marino
Journal article
2023
Generalized Wiedemann-Franz law in a two-site charge Kondo circuit: Lorenz ratio as a manifestation of the orthogonality catastrophe
Physical Review B (2023)
M. N. Kiselev
Preprint
2023
Network science Ising states of matter
Hanlin Sun | Rajat Kumar Panda | Roberto Verdel | Alex Rodriguez | Marcello Dalmonte | Ginestra Bianconi
Preprint
2023
Quantifying non-stabilizerness through entanglement spectrum flatness
Emanuele Tirrito | Poetri Sonya Tarabunga | Gugliemo Lami | Titas Chanda | Lorenzo Leone | Salvatore F. E. Oliviero | Marcello Dalmonte | Mario Collura | Alioscia Hamma
Preprint
2023
Dynamical localization transition of string breaking in quantum spin chains
Roberto Verdel | Guo-Yi Zhu | Markus Heyl

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