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View the latest research published by CMSP scientists.

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
Journal article
2025
Design of radionuclide separations based on MD simulations
Analytica Chimica Acta (2025)
I. Giménez | Giulia Sormani | Rodríguez. A | Hassanali. A | Héctor Bagán Navarro | Alex Tarancón

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All publications
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
Preprint
2024
Aqueous Solution Chemistry In Silico and the Role of Data Driven Approaches
Debarshi Banerjee | Khatereh Azizi | Colin K. Egan | Edward Danquah Donkor | Cesare Malosso | Solana Di Pino | Gonzalo Diaz Miron | Martina Stella | Giulia Sormani | Germaine Neza Hozana | Marta Monti | Uriel N. Morzan ...
Preprint
2024
Beyond Local Structures In Critical Supercooled Water Through Unsupervised Learning
Edward Danquah Donkor | Adu Offei-Danso | Alex Rodriguez | Francesco Sciortino | Ali Hassanali
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
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
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
β-Bi2O3-Bi2WO6 Nanocomposite Ornated with meso-Tetraphenylporphyrin: Interfacial Electrochemistry and Photoresponsive Detection of Nanomolar Hexavalent Cr
Inorganic Chemistry (2023)
Pal, S. | Mahamiya, V. | Ray, P. | Sarkar, A. | Sultana, F. | Adhikary, B. | Chakraborty, B. | Show, B.
Journal article
2023
Lithium decorated Ѱ-graphene as a potential hydrogen storage material: Density functional theory investigations
International Journal of Hydrogen Energy (2023)
Dewangan, J. | Mahamiya, V. | Shukla, A. | Chakraborty, B.
Preprint
2023
Potential reversible hydrogen storage in Li-decorated carbon allotrope PAI-Graphene: A first-principles study
Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Preprint
2023
Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters
Vikram Mahamiya | Pritam Bhattacharyya | Alok Shukla
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
Reversible hydrogen adsorption in Ti-functionalized porous holey graphyne: Insights from first-principles calculation
Energy Storage (2023)
Dewangan, J. | Mahamiya, V. | Shukla, A. | Chakraborty, B.
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)
Singh, A. | Mahamiya, V. | Shukla, A.
Journal article
2023
Influence of defects on the valley polarization properties of monolayer MoS2 grown by chemical vapor deposition
Physical Review B (2023)
Mujeeb, F. | Chakrabarti, P. | Mahamiya, V. | Shukla, A. | Dhar, S.
Journal article
2023
An ab initio study of catechol sensing in pristine and transition metal decorated γ-graphyne
Nanotechnology (2023)
Dewangan, J. | Mahamiya, V. | Shukla, A. | Chakraborty, B.
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
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
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

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