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View the latest research published by CMSP scientists.

Preprint
2025
Dynamical Heterogeneity in Supercooled Water and its Spectroscopic Fingerprints
Cesare Malosso | Edward Danquah Donkor | Stefano Baroni | Ali Hassanali
Preprint
2025
Deconstructing the Origins of Interfacial Catalysis: Why Electric Fields are Inseparable from Solvation
Solana Di Pino | Debarshi Banerjee | Marta Monti | Gonzalo Diaz Miron | Giuseppe Cassone | Ali Hassanali
Journal article
2025
Local vs Nonlocal Dynamics in Cavity-Coupled Rydberg Atom Arrays
Physical Review Letters (2025)
Zeno Bacciconi | Hernan B. Xavier | Matteo Marinelli | Devendra Singh Bhakuni | Marcello Dalmonte
Journal article
2025
Towards a robust approach to infer causality from molecular dynamics simulations
The Journal of Chemical Physics (2025)
Vittorio Del Tatto | Debarshi Banerjee | Ali Hassanali | Alessandro Laio
Preprint
2025
Defects at Play: Shaping the Photophysics and Photochemistry of Ice
Marta Monti | Yu Jin | Gonzalo Díaz Mirón | Arpan Kundu | Marco Govoni | Giulia Galli | Ali Hassanali
Journal article
2025
Dynamics of edge modes in monitored Su-Schrieffer-Heeger models
Physical Review B (2025)
Giulia Salatino | Gianluca Passarelli | Angelo Russomanno | Giuseppe E. Santoro | Procolo Lucignano | Rosario Fazio
Preprint
2025
Interplay of entanglement structures and stabilizer entropy in spin models
Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito
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 ...
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
Journal article
2025
Crystallization of L‐Cysteine in Heavy Water Induces Intrinsic Fluorescence
Angewandte Chemie International Edition (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
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

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All publications
Preprint
2023
First-order photon condensation in magnetic cavities: A two-leg ladder model
Zeno Bacciconi | Gian Marcello Andolina | Titas Chanda | Giuliano Chiriacò | Marco Schiró | Marcello Dalmonte
Preprint
2023
Complexity of spin configurations dynamics due to unitary evolution and periodic projective measurements
Heitor P. Casagrande | Bo Xing | Marcello Dalmonte | Alex Rodriguez | Vinitha Balachandran | Dario Poletti
Journal article
2023
Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase
Nature Communications (2023)
Maschietto, Federica
and Morzan, Uriel N.
and Tofoleanu, Florentina
and Gheeraert, Aria
and Chaudhuri, Apala
and Kyro, Gregory W.
and Nekrasov, Peter
and Brooks, Bernard
and Loria, J. Patrick
and Rivalta, Ivan
and Batista, Victor S.
Preprint
2023
Spectral properties of critical 1+1D Abelian-Higgs model
Titas Chanda | Marcello Dalmonte | Maciej Lewenstein | Jakub Zakrzewski | Luca Tagliacozzo
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
Spectral properties of critical 1+1D Abelian-Higgs model
Titas Chanda | Marcello Dalmonte | Maciej Lewenstein | Jakub Zakrzewski | Luca Tagliacozzo
Preprint
2023
Diagrammatic method for many-body non-Markovian dynamics: memory effects and entanglement transitions
Giuliano Chiriacò | Mikheil Tsitsishvili | Dario Poletti | Rosario Fazio | Marcello Dalmonte
Journal article
2023
Elastic-stripe formation at electronic transitions
Physical Review B (2023)
Giuliano Chiriacò | Andrew J. Millis
Journal article
2023
Classification and emergence of quantum spin liquids in chiral Rydberg models
Physical Review B (2023)
Poetri Sonya Tarabunga | Giuliano Giudici | Titas Chanda | Marcello Dalmonte
Journal article
2023
Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water
Journal of Chemical Theory and Computation (2023)
Edward Danquah Donkor | Alessandro Laio | Ali Hassanali
Journal article
2023
The collective burst mechanism of angular jumps in liquid water
Nature Communications (2023)
Adu Offei-Danso | Uriel N. Morzan | Alex Rodriguez | Ali Hassanali | Asja Jelic
Preprint
2023
First-order superradiant phase transition in magnetic cavities: A two-leg ladder model
Zeno Bacciconi | Gian Marcello Andolina | Titas Chanda | Giuliano Chiriacò | Marco Schiró | Marcello Dalmonte
Journal article
2023
Diagrammatic method for many-body non-Markovian dynamics: Memory effects and entanglement transitions
Physical Review B (2023)
Giuliano Chiriacò | Mikheil Tsitsishvili | Dario Poletti | Rosario Fazio | marcello dalmonte
Preprint
2023
First-order superradiant phase transition in magnetic cavities: A two-leg ladder model
Zeno Bacciconi | Gian Marcello Andolina | Titas Chanda | Giuliano Chiriacò | Marco Schiró | Marcello Dalmonte
Preprint
2023
Wave function network description and Kolmogorov complexity of quantum many-body systems
T. Mendes-Santos | M. Schmitt | A. Angelone | A. Rodriguez | P. Scholl | H. J. Williams | D. Barredo | T. Lahaye | A. Browaeys | M. Heyl | M. Dalmonte
Preprint
2023
$Ab\,initio$ derivation of lattice gauge theory dynamics for cold gases in optical lattices
Federica Maria Surace | Pierre Fromholz | Nelson Darkwah Oppong | Marcello Dalmonte | Monika Aidelsburger
Preprint
2023
$Ab\,initio$ derivation of lattice gauge theory dynamics for cold gases in optical lattices
Federica Maria Surace | Pierre Fromholz | Nelson Darkwah Oppong | Marcello Dalmonte | Monika Aidelsburger
Journal article
2023
Slow melting of a disordered quantum crystal
Physical Review B (2023)
Federico Balducci | Antonello Scardicchio | Carlo Vanoni
Preprint
2022
High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives
Vikram Mahamiya | Alok Shukla | Nandini Garg | Brahmananda Chakraborty
Preprint
2022
Remarkable enhancement in catechol sensing by the decoration of selective transition metals in biphenylene sheet: A systematic first-principles study
Vikram Mahamiya | Juhee Dewangan | Alok Shukla | Brahmananda Chakraborty
Preprint
2022
Influence of compressive strain on the hydrogen storage capabilities of graphene: A density functional theory study
Vikram Mahamiya | Alok Shukla | Nandini Garg | Brahmananda Chakraborty
Preprint
2022
Prediction of a Novel 2D Porous Boron Nitride Material with Excellent Electronic, Optical and Catalytic Properties
Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Preprint
2022
Ultrahigh reversible hydrogen storage in K and Ca decorated 4-6-8 biphenylene sheet
Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Journal article
2022
Dissipative time crystals with long-range Lindbladians
Rosario Fazio
Book chapter
2022
Optimal Parent Hamiltonians for Many-Body States
Rosario Fazio
Journal article
2022
Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters
ACS Omega (2022)
Vikram Mahamiya | Pritam Bhattacharyya | Alok Shukla
Journal article
2022
High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives
International Journal of Hydrogen Energy (2022)
Vikram Mahamiya
Journal article
2022
Remarkable enhancement in catechol sensing by the decoration of selective transition metals in biphenylene sheet: A systematic first-principles study
Journal of Physics D: Applied Physics (2022)
Mahamiya, V. | Dewangan, J. | Shukla, A. | Chakraborty, B.
Journal article
2022
Influence of Defects on the Valley Polarization Properties of Monolayer MoS2 Grown by Chemical Vapor Deposition
ArXiv (2022)
Mujeeb, Faiha | Chakrabarti, Poulab | Mahamiya, Vikram | Shukla, Alok | Dhar, Subhabrata
Journal article
2022
Scandium decorated C24 fullerene as high capacity reversible hydrogen storage material: Insights from density functional theory simulations
Applied Surface Science (2022)
Vikram Mahamiya

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