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View the latest research published by CMSP scientists.

Journal article
2025
Heat-to-motion conversion for quantum active matter
Physical Review B (2025)
Alexander-Georg Penner | Ludmila Viotti | Rosario Fazio | Liliana Arrachea | Felix von Oppen
Journal article
2025
Silver Copper Oxide: A p-Type Transparent Conductive Oxide?
ACS Applied Energy Materials (2025)
Abhishek Rawat | Juan Carlos Expósito Gálvez | Mohammad Arham Shamim | Abhishek K. Adak | Chuzhong Zhang | Clement U. Nwokeji | Riddhi Ananth | Anushka Dasgupta | Enrique Ramirez | Sumit Kewalramani | Péter S. Tóth ...
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
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
Preprint
2025
Dynamical Heterogeneity in Supercooled Water and its Spectroscopic Fingerprints
Cesare Malosso | Edward Danquah Donkor | Stefano Baroni | Ali Hassanali
Journal article
2025
Ultrahigh TER ratios and nonvolatile behavior in dual-polarized GaAs/In2Se3 heterostructures: A first-principles study
Applied Physics Letters (2025)
Weijie Liao | Da-Wei Deng | Jifeng Luo | Li-Xiu Ran | Nicola Seriani | Zhenkun Tang | Wen-Jin Yin | Ralph Gebauer
Journal article
2025
One‐Step Tunable MoS2 with Enhanced Zn2+ Diffusion for High‐Energy Zinc‐Ion Hybrid Capacitors
Advanced Science (2025)
Harshitha B. Tyagaraj | Vikram Mahamiya | Supriya J. Marje | Gagankumar Sakleshpur Kumar | Shalmali R. Burse | Swapnil R Patil | Ebrahim Al Hajri | Nilesh R. Chodankar | Yun Suk Huh | Young Kyu Han
Journal article
2025
Mechanical-force-driven charge redistribution for hydrogen release at ambient conditions in transition-metal-intercalated bilayer graphene
Physical Review Materials (2025)
Jongdeok Kim | Vikram Mahamiya | Massimiliano Di Ventra | Hoonkyung Lee
Journal article
2025
Emergent deterministic entanglement dynamics in monitored infinite-range bosonic systems
Physical Review B (2025)
Zejian Li | Anna Delmonte | Rosario Fazio
Preprint
2025
Anomalously fast transport in non-integrable lattice gauge theories
Devendra Singh Bhakuni | Roberto Verdel | Jean-Yves Desaules | Maksym Serbyn | Marko Ljubotina | Marcello Dalmonte
Preprint
2025
Ultrafast Solvent Dynamics Drives the Formation of the Hydrated Electron in Photoexcited Water
Gonzalo Díaz Mirón | Cesare Malosso | Solana Di Pino | Colin K. Egan | Diganta Disgupta | Christopher J. Mundy | Ali Hassanali
Preprint
2025
Ultrafast Solvent Dynamics Drives the Formation of the Hydrated Electron in Photoexcited Water
Gonzalo Díaz Mirón | Cesare Malosso | Solana Di Pino | Colin K. Egan | Diganta Disgupta | Christopher J. Mundy | Ali Hassanali

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All publications
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
Physical Review B (2023)
Singh, A. | Mahamiya, V. | Shukla, A.
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

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