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View the latest research published by CMSP scientists.

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

Preprint

2026

Magic of Kitaev spin liquids

Eleonora Lamma | Tim Bauer | Marcello Dalmonte | Mario Collura

Preprint

2026

Many-body ergodicity breaking from wavefunction snapshots

Riccardo Andreoni | Devendra Singh Bhakuni | Marcello Dalmonte | Lev Vidmar | Miroslav Hopjan

Preprint

2026

Tracking Chirality during Molecular Motor Photoisomerization via Simulated Time-Resolved Circular Dichroism

Leonardo Biancorosso | Ali Hassanali | Mauro Stener | Emanuele Coccia | Marta Monti | Gonzalo Díaz Mirón

Journal article

2026

Quantum Brownian Motion: Proving that the Schmid Transition Belongs to the Berezinskii-Kosterlitz-Thouless Universality Class

Physical Review Letters (2026)

F. G. Capone | A. de Candia | V. Cataudella | R. Fazio | N. Nagaosa | C. A. Perroni | G. De Filippis

Journal article

2026

Polaron-enhanced carrier separation at the anatase (101)/(001) interface: A constrained density functional theory study

Physical Review B (2026)

Qiong Hu | Ran Zhang | Rutong Si | Qingxia Ge | Wen-Jin Yin | Ralph Gebauer

Preprint

2026

Universality of Magic in Local Quantum Field Theory

Valentin Benedetti | Atish Dabholkar | Marcello Dalmonte

Preprint

2026

Glassy Signatures in Water's Second Liquid

Florian Pabst | Ali Hassanali

Journal article

2026

Quantum Mpemba effect in chaotic systems with conservation laws

Physical Review B (2026)

Thomas Martin Müller | Silvia Pappalardi | Rosario Fazio

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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

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 E. Santoro | Rosario Fazio

Journal article

2023

Competition of Quasiparticles and Magnetization Noise in Hybrid Ferromagnetic Transmon Qubits

Rosario Fazio

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