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View the latest research published by CMSP scientists.

Journal article
2026
Hydrogen-bond donor–acceptor imbalance in low-frequency terahertz water spectra
The Journal of Chemical Physics (2026)
Lilian Najm Alsayed | Florian Pabst | Giuseppe Cassone | Ali Hassanali | Fabio Novelli
Journal article
2026
Mapping Collective Electron-Density Rearrangements at Oil–Water Interfaces Using Optimal Transport
Journal of Chemical Theory and Computation (2026)
Gabriele Amante | Klaudia Mráziková | Gabriele Centi | Sylvie Roke | Ali Hassanali | Giuseppe Cassone
Preprint
2026
Transferable machine learning of excited-state dynamics with extremal pooling
Cesare Malosso | Wei Bin How | Gonzalo Díaz Mirón | Ali Hassanali | Michele Ceriotti
Journal article
2026
Machine Learning the Nonradiative Decay Modes in Photochemical Processes
Journal of Chemical Theory and Computation (2026)
Debarshi Banerjee | Gonzalo Díaz Mirón | Alex Rodriguez | Ali Hassanali
Journal article
2026
Anomalously fast transport in nonintegrable lattice gauge theories
Physical Review B (2026)
Devendra Singh Bhakuni | Roberto Verdel | Jean-Yves Desaules | Maksym Serbyn | Marko Ljubotina | Marcello Dalmonte
Preprint
2026
Causality in Liquid Water as a Hallmark of Emergent Glassy Dynamics
Leon Huet | Vittorio Del Tatto | Debarshi Banerjee | Alessandro Laio | Ali A. Hassanali
Preprint
2026
Unraveling the Emergence of Slow Dynamics in U(1) Lattice Gauge Theories
Riccardo Andreoni | Zala Lenarčič | Zeno Bacciconi | Antonello Scardicchio | Marcello Dalmonte | Devendra Singh Bhakuni
Preprint
2026
Reinterpreting ultrafast experiments on supercooled water: Glass transition versus liquid-liquid criticality
Florian Pabst | Ali Hassanali
Preprint
2026
Causality in Liquid Water as a Hallmark of Emergent Glassy Dynamics
Leon Huet | Vittorio Del Tatto | Debarshi Banerjee | Alessandro Laio | Ali A. Hassanali
Journal article
2026
Complexity of Quantum Trajectories
PRX Quantum (2026)
Luca Lumia | Emanuele Tirrito | Mario Collura | Fabian H. L. Essler | Rosario Fazio
Journal article
2026
Hydrogen Detachment in Diprotic Aromatics: O–H versus N–H Photodissociation in m-Aminophenol
The Journal of Physical Chemistry Letters (2026)
Facundo Tarasi | Gonzalo Díaz Mirón | Debarshi Banerjee | Damián A. Scherlis
Preprint
2026
Pulling strings in real time: flux tube dynamics in (2+1)-d $\mathbb{Z}_2$-Higgs Gauge Theories
Zeno Bacciconi | Martina Frau | Luca Tagliacozzo | Michele Caselle | Marcello Dalmonte

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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
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
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
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
Exploring yttrium doped C24 fullerene as a high-capacity reversible hydrogen storage material: DFT investigations
Journal of Alloys and Compounds (2022)
Vikram Mahamiya
Journal article
2022
Ultrahigh reversible hydrogen storage in K and Ca decorated 4-6-8 biphenylene sheet
ArXiv (2022)
Mahamiya, Vikram | Shukla, Alok | Chakraborty, Brahmananda
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.

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