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View the latest research published by CMSP scientists.

Preprint
2025
Real-time scattering and freeze-out dynamics in Rydberg-atom lattice gauge theory
De-Sheng Xiang | Peng Zhou | Chang Liu | Hao-Xiang Liu | Yao-Wen Zhang | Dong Yuan | Kuan Zhang | Biao Xu | Marcello Dalmonte | Dong-Ling Deng | Lin Li
Journal article
2025
Many-body open quantum systems
SciPost Physics Lecture Notes (2025)
Rosario Fazio | Jonathan Keeling | Leonardo Mazza | Marco Schirò
Journal article
2025
Short-range order stabilizes a cubic iron alloy in Earth’s inner core
Nature Communications (2025)
Zhi Li | Sandro Scandolo
Journal article
2025
Acid–Base Chemistry of Short Hydrogen Bonds: A Tale of Schrödinger’s Cat in Glutamine-Derived Crystals
The Journal of Physical Chemistry Letters (2025)
Muhammad Nawaz Qaisrani | Nandha Kumar | Christian Dreßler | Ralph Gebauer | Ali Hassanali
Journal article
2025
Quantum Computing for Photosensitizer Design in Photodynamic Therapy
Annual Review of Biomedical Data Science (2025)
Hope Zehr | Alberto Baiardi | Francesco Tacchino | Anthony Gandon | Laurin E. Fischer | Yue Xu | Frank P. DiFilippo | Leonardo Guidoni | Pi A.B. Haase | Walter N. Talarico | Martina Stella | Fabio Tarocco | Anton Nykänen ...
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
Preprint
2025
Opportunities and Challenges in Unsupervised Learning: The Case of Aqueous Electrolyte Solutions
Giulia Sormani | Alex Rodriguez | Ali Hassanali
Preprint
2025
pH-Driven Fluorescence in Solid-State Lysine
Marta Monti | Luca Cimmino | Gonzalo Díaz Mirón | Carlo Diaferia | Debarshi Banerjee | Martina Stella | Luigi Vitagliano | Antonella Accardo | Ali Hassanali
Preprint
2025
Robustness of Magic in the quantum Ising chain via Quantum Monte Carlo tomography
Hari Timsina | Yi-Ming Ding | Emanuele Tirrito | Poetri Sonya Tarabunga | Bin-Bin Mao | Mario Collura | Zheng Yan | Marcello Dalmonte
Preprint
2025
Universal Spreading of Nonstabilizerness and Quantum Transport
Emanuele Tirrito | Poetri Sonya Tarabunga | Devendra Singh Bhakuni | Marcello Dalmonte | Piotr Sierant | Xhek Turkeshi
Journal article
2025
Bipolarons on dry and wet reduced rutile (110) surfaces: A constrained density functional theory study
Physical Review B (2025)
Yun-Bo Li | Da-Wei Deng | Wen-Jin Yin | Nicola Seriani | Ralph Gebauer
Preprint
2025
Dynamical Heterogeneity in Supercooled Water and its Spectroscopic Fingerprints
Cesare Malosso | Edward Danquah Donkor | Stefano Baroni | Ali Hassanali

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All publications
Journal article
2024
Chirality- and Rashba- related effects in the spin texture of a two-dimensional centrosymmetric ferromagnet: The case of the CrI3 bilayer
Journal of Magnetism and Magnetic Materials (2024)
Sukanya Ghosh | Nataša Stojić | Nadia Binggeli
Journal article
2024
Entanglement – nonstabilizerness separation in hybrid quantum circuits
Rosario Fazio
Journal article
2024
Dissecting the hydrogen bond network of water: charge transfer and nuclear quantum effects
Science (2024)
Damien Laage | Ali Hassanali | Sylvie Roke | Giuseppe Cassone | David Wilkins | Mischa Flór | Miguel de la Puente
Journal article
2024
First-principles description of solid oxygen in the gigapascal pressure scale using the DFT+vdW+U approach
Physical Review B (2024)
M.-B. Attaiaa | M. Micoulaut | S. Klotz | S. Scandolo
Preprint
2024
Data-Driven Discovery of the Origins of UV Absorption in Alpha-3C Protein
Germaine Neza Hozana | Gonzalo Díaz Mirón | Ali Hassanali
Preprint
2024
Disentangling unitary dynamics with classically simulable quantum circuits
Gerald E. Fux | Benjamin Béri | Rosario Fazio | Emanuele Tirrito
Journal article
2024
Floquet time crystals as quantum sensors of ac fields
Rosario Fazio
Journal article
2024
Interactions and integrability in weakly monitored Hamiltonian systems
Rosario Fazio
Journal article
2024
Competing Phases of Iron at Earth's Core Conditions From Deep‐Learning‐Aided ab‐initio Simulations
Geophysical Research Letters (2024)
Zhi Li | Sandro Scandolo
Journal article
2024
Disparity of carriers in polarized GaSe/WSSe heterostructures: A first-principles study
Physical Review Applied (2024)
Zhusen Zhang | Dawei Deng | Qing-Xia Ge | Zhen-Kun Tang | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Preprint
2024
Trajectory Surface Hopping with Tight Binding Density Functional Theory applied to Molecular Motors
Gonzalo Díaz Mirón | Carlos R. Lien-Medrano | Debarshi Banerjee | Marta Monti | B. Aradi | Michael A. Sentef | Thomas A. Niehaus | Ali Hassanali
Preprint
2024
Non-stabilizerness in U(1) lattice gauge theory
Pedro R. Nicácio Falcão | Poetri Sonya Tarabunga | Martina Frau | Emanuele Tirrito | Jakub Zakrzewski | Marcello Dalmonte
Journal article
2024
Nonstabilizerness of permutationally invariant systems
Physical Review A (2024)
G. Passarelli | R. Fazio | P. Lucignano
Journal article
2024
Waste-to-energy material: Winery-waste derived heteroatoms containing graphene-like porous carbon for high-voltage supercapacitor
Materials Today Sustainability (2024)
Tyagaraj, H.B. | Mahamiya, V. | Marje, S.J. | Safarkhani, M. | S K, G. | Al-Hajri, E. | Chodankar, N.R. | Huh, Y.S. | Han, Y.-K.
Journal article
2024
Unveiling the Nanoarchitectonics of Interfacial Electronic Coupling in Atomically Thin 2D WO3/WSe2 Heterostructure for Sodium‐Ion Storage in Aqueous System
Advanced Functional Materials (2024)
Pragati A. Shinde | Vikram Mahamiya | Moein Safarkhani | Nilesh R. Chodankar | Masaki Ishii | Renzhi Ma | Amal Al Ghaferi | Lok Kumar Shrestha | Katsuhiko Ariga | Vikram Mahamiya
Journal article
2024
Phase-Engineered Tin Sulfides and Their Heterostructure with Ti3C2Tx MXene for All-Solid-State Flexible Asymmetric Supercapacitors
ACS Applied Nano Materials (2024)
Patra, A. | Hegde, S. | Mahamiya, V. | Chakraborty, B. | Jeong, S.M. | Rout, C.S.
Journal article
2024
Interplay between van der Waals, Kubas, and chemisorption process when hydrogen molecules are adsorbed on pristine and Sc-functionalized BeN4
International Journal of Hydrogen Energy (2024)
Mahamiya, V. | Dewangan, J. | Chakraborty, B.
Preprint
2024
The Joint Solvation Interaction
Entropy (2024)
Ali Hassanali | Colin K. Egan
Preprint
2024
Emergent dipole field theory in atomic ladders
SciPost Physics (2024)
Hernan B. Xavier | Poetri Sonya Tarabunga | Marcello Dalmonte | Rodrigo G. Pereira
Preprint
2024
Non-stabilizerness versus entanglement in matrix product states
M. Frau | P. S. Tarabunga | M. Collura | M. Dalmonte | E. Tirrito
Preprint
2024
Unifying methods for optimal control in non-Markovian quantum systems via process tensors
The Journal of Chemical Physics (2024)
Carlos Ortega-Taberner | Eoin O'Neill | Eoin Butler | Gerald E. Fux | P. R. Eastham
Preprint
2024
Diagnosing quantum transport from wave function snapshots
Physical Review B (2024)
Devendra Singh Bhakuni | Roberto Verdel | Cristiano Muzzi | Riccardo Andreoni | Monika Aidelsburger | Marcello Dalmonte
Journal article
2024
pH drives electron density fluctuations that enhance electric field-induced liquid flow
Nature Communications (2024)
S. Pullanchery | S. Kulik | T. Schönfeldová | C. K. Egan | G. Cassone | A. Hassanali | S. Roke
Journal article
2024
Quantitative Analysis of the Synergy of Doping and Nanostructuring of Oxide Photocatalysts
Materials (2024)
Nicola Seriani | Paola Delcompare-Rodriguez | Dhanshree Pandey | Abhishek Kumar Adak | Vikram Mahamiya | Carlos Pinilla | Hala J. El-Khozondar
Preprint
2024
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations
Cesare Malosso | Natalia Manko | Maria Grazia Izzo | Stefano Baroni | Ali Hassanali
Journal article
2024
Nonstabilizerness versus entanglement in matrix product states
Physical Review B (2024)
M. Frau | P. S. Tarabunga | M. Collura | M. Dalmonte | E. Tirrito
Journal article
2024
Low-temperature catalytic methane deep oxidation over sol-gel derived mesoporous hausmannite (Mn3O4) spherical particles
ChemPhysMater (2024)
Patrick Ndouka Ndouka | Stephane Kenmoe | Jacques Richard Mache | Elie Acayanka | Dick Hartmann Douma | Ralph Gebauer | Patrick Mountapmbeme Kouotou
Journal article
2024
Aqueous solution chemistry in silico and the role of data-driven approaches
Chemical Physics Reviews (2024)
Debarshi Banerjee | Khatereh Azizi | Colin K. Egan | Edward Danquah Donkor | Cesare Malosso | Solana Di Pino | Gonzalo Díaz Mirón | Martina Stella | Giulia Sormani | Germaine Neza Hozana | Uriel N. Morzan | Alex Rodriguez ...
Journal article
2024
Synthesis and Tuning of Electronic, Optical, and Photoelectrochemical Properties of Copper Metavanadate Alloys via Alkaline Earth Metal Substitution
ECS Journal of Solid State Science and Technology (2024)
Fahad I. Danladi | Abhishek Rawat | Abhishek Kumar Adak | Chuzhong Zhang | Vinod K. Sangwan | Riddhi Ananth | Mark C. Hersam | Efstathios I. Meletis | Krishnan Rajeshwar
Preprint
2024
OQuPy: A Python package to efficiently simulate non-Markovian open quantum systems with process tensors
The Journal of Chemical Physics (2024)
Gerald E. Fux | Piper Fowler-Wright | Joel Beckles | Eoin P. Butler | Paul R. Eastham | Dominic Gribben | Jonathan Keeling | Dainius Kilda | Peter Kirton | Ewen D. C. Lawrence | Brendon W. Lovett | Eoin O'Neill | Aidan Strathearn ...

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