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View the latest research published by CMSP scientists.

Preprint
2026
Beyond the Virial Expansion: Microscopic Origins of Partial Molar Volumes in LiCl Solutions
Chun-Ting Lin | Diganta Dasgupta | Tinglu Yang | Cesare Malosso | Giulia Sormani | Colin Egan | Giovanni Bussi | Ali Hassanali | Paul S. Cremer
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
Glassy Arrest Behind the Apparent Second Liquid in Water
Florian Pabst | Ali Hassanali
Preprint
2026
Interfacial Electric Fields in Water Nanodroplets are Weakly Dependent on Curvature and pH
Gabriele Amante | Fortunata Panzera | Gabriele Centi | Jing Xie | Ali Hassanali | A. Marco Saitta | Giuseppe Cassone
Journal article
2026
Measurement-induced phase transition in interacting bosons from most likely quantum trajectory
SciPost Physics (2026)
Anna Delmonte | Zejian Li | Rosario Fazio | Alessandro Romito
Journal article
2026
Noise signatures of a charged Sachdev-Ye-Kitaev dot in mesoscopic transport
Physical Review B (2026)
Andrei I. Pavlov | Mikhail N. Kiselev
Preprint
2026
Collective Electronic Polarization Drives Charge Asymmetry at Oil-Water Interfaces
Gabriele Amante | Klaudia Mrazikova | Gabriele Centi | Sylvie Roke | Ali Hassanali | Giuseppe Cassone
Journal article
2026
Generalized Cutler-Mott relation in a crossover between Fermi and non-Fermi liquid regimes of two-site charge Kondo simulators
Physical Review B (2026)
T. K. T. Nguyen | M. N. Kiselev
Journal article
2026
Quantum Time Crystal Clock and Its Performance
Physical Review Letters (2026)
Ludmila Viotti | Marcus Huber | Rosario Fazio | Gonzalo Manzano
Journal article
2026
Water-mediated reconfigurable topology and mechanics in porous peptide materials
Matter (2026)
Vignesh Athiyarath | Elma Naranjo | Dhwanit Dave | Osman Goni Ridwan | Danilo A. Arturo Rodriguez | Qiang Zhu | Marta Monti | Gonzalo Díaz Mirón | Debarshi Banerjee | Ali Hassanali | Michelle C. Neary | Eric G. Keeler ...
Journal article
2026
Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water
Nature Communications (2026)
Gonzalo Díaz Mirón | Cesare Malosso | Solana Di Pino | Colin K. Egan | Diganta Dasgupta | Christopher J. Mundy | Ali Hassanali
Journal article
2026
Quantum thermodynamic uncertainty relation and macroscopic superconducting coherence
Physical Review Research (2026)
Franco Mayo | Nahual Sobrino | Rosario Fazio | Fabio Taddei | Michele Governale

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All publications
Journal article
2024
Principal component analysis of absorbing state phase transitions
Physical Review E (2024)
Cristiano Muzzi | Ronald Santiago Cortes | Devendra Singh Bhakuni | Asja Jelić | Andrea Gambassi | Marcello Dalmonte | Roberto Verdel
Journal article
2024
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method
Journal of Chemical Theory and Computation (2024)
Gonzalo Díaz Mirón | Carlos R. Lien-Medrano | Debarshi Banerjee | Uriel N. Morzan | Michael A. Sentef | Ralph Gebauer | Ali Hassanali
Preprint
2024
Non-stabilizerness versus entanglement in matrix product states
M. Frau | P. S. Tarabunga | M. Collura | M. Dalmonte | E. Tirrito
Journal article
2024
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations
Proceedings of the National Academy of Sciences (2024)
Cesare Malosso | Natalia Manko | Maria Grazia Izzo | Stefano Baroni | Ali Hassanali
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
ArXiv (2023)
Singh, Arushi | Mahamiya, Vikram | Shukla, Alok
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

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