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View the latest research published by CMSP scientists.

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
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
Investigating finite-size effects in random matrices by counting resonances
Anton Kutlin | Carlo Vanoni
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
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
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
Preprint
2024
Nonstabilizerness via matrix product states in the Pauli basis
Poetri Sonya Tarabunga | Emanuele Tirrito | Mari Carmen Bañuls | Marcello Dalmonte
Preprint
2024
Nonstabilizerness via matrix product states in the Pauli basis
Poetri Sonya Tarabunga | Emanuele Tirrito | Mari Carmen Banuls | 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

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All publications
Journal article
2022
Probing disorder in 2CzPN using core and valence states
Physical Chemistry Chemical Physics (2022)
Nathalie K. Fernando | Martina Stella | William Dawson | Takahito Nakajima | Luigi Genovese | Anna Regoutz | Laura E. Ratcliff
Journal article
2022
Hematite surfaces: Band bending and local electronic states
Physical Review Materials (2022)
Ralph Gebauer | Samare Rostami | N. Seriani | R. Gebauer
Journal article
2022
Oxygen vacancy suppress room temperature ferromagnetism of p-type Cu doped ZnO: Synthesis and density functional theory
Micro and Nanostructures (2022)
Ralph Gebauer | Hassan Ahmoum | Guojian Li | Mourad Boughrara | Ralph Gebauer | Mohd Sukor Su'ait | Karim Tanji | Mohamed Kerouad | Qiang Wang
Journal article
2022
Localization and Melting of Interfaces in the Two-Dimensional Quantum Ising Model
Physical Review Letters (2022)
Federico Balducci | Andrea Gambassi | Alessio Lerose | Antonello Scardicchio | Carlo Vanoni
Preprint
2022
Elastic stripes formation at electronic transitions
Giuliano Chiriacò | Andrew J. Millis
Preprint
2022
Gauge-theoretic origin of Rydberg quantum spin liquids
P. S. Tarabunga | F. M. Surace | R. Andreoni | A. Angelone | M. Dalmonte
Preprint
2022
Entanglement Hamiltonians: from field theory, to lattice models and experiments
M. Dalmonte | V. Eisler | M. Falconi | B. Vermersch
Preprint
2022
Critical light-matter entanglement at cavity mediated phase transition
Giuliano Chiriacò | Marcello Dalmonte | Titas Chanda
Preprint
2022
Phase diagram of Rydberg-dressed atoms on two-leg triangular ladders
Pierre Fromholz | Mikheil Tsitsishvili | Matteo Votto | Marcello Dalmonte | Alexander Nersesyan | Titas Chanda
Preprint
2022
The Negativity Hamiltonian: An operator characterization of mixed-state entanglement
Sara Murciano | Vittorio Vitale | Marcello Dalmonte | Pasquale Calabrese
Journal article
2022
Localization in the Discrete Non-linear Schrödinger Equation and Geometric Properties of the Microcanonical Surface
Journal of Statistical Physics (2022)
Arezzo, C. | Balducci, F. | Piergallini, R. | Scardicchio, A. | Vanoni, C.
Journal article
2022
Dissipative Floquet Dynamics: from Steady State to Measurement Induced Criticality in Trapped-ion Chains
Quantum (2022)
Marcello Dalmonte
Journal article
2022
Entanglement transitions from stochastic resetting of non-Hermitian quasiparticles
Physical Review B (2022)
Xhek Turkeshi | Marcello Dalmonte | Rosario Fazio | Marco Schirò
Journal article
2022
Finite-temperature quantum discordant criticality
Physical Review B (2022)
Poetri Sonya Tarabunga | Tiago Mendes-Santos | Fabrizio Illuminati | Marcello Dalmonte
Journal article
2022
Phase diagram of Rydberg-dressed atoms on two-leg square ladders: Coupling supersymmetric conformal field theories on the lattice
Physical Review B (2022)
Mikheil Tsitsishvili | Titas Chanda | Matteo Votto | Pierre Fromholz | Marcello Dalmonte | Alexander Nersesyan
Journal article
2022
Measurement-induced criticality in extended and long-range unitary circuits
SciPost Physics Core (2022)
Marcello Dalmonte
Journal article
2022
Gauge-Theoretic Origin of Rydberg Quantum Spin Liquids
Physical Review Letters (2022)
P. S. Tarabunga | F. M. Surace | R. Andreoni | A. Angelone | M. Dalmonte
Journal article
2022
Negativity Hamiltonian: An Operator Characterization of Mixed-State Entanglement
Physical Review Letters (2022)
Marcello Dalmonte
Journal article
2022
Phase diagram of Rydberg-dressed atoms on two-leg triangular ladders
Physical Review B (2022)
Pierre Fromholz | Mikheil Tsitsishvili | Matteo Votto | Marcello Dalmonte | Alexander Nersesyan | Titas Chanda
Journal article
2022
Symmetry-resolved dynamical purification in synthetic quantum matter
SciPost Physics (2022)
Marcello Dalmonte
Journal article
2022
Critical light-matter entanglement at cavity mediated phase transitions
Physical Review B (2022)
Giuliano Chiriacò | Marcello Dalmonte | Titas Chanda
Journal article
2022
Observation of Strong Synergy in the Interfacial Water Response of Binary Ionic and Nonionic Surfactant Mixtures
The Journal of Physical Chemistry Letters (2022)
Sanghamitra Sengupta | Rahul Gera | Colin Egan | Uriel N. Morzan | Jan Versluis | Ali Hassanali | Huib J. Bakker
Journal article
2022
Model Folded Hydrophobic Polymers Reside in Highly Branched Voids
The Journal of Physical Chemistry Letters (2022)
Khatereh Azizi | Alessandro Laio | Ali Hassanali
Journal article
2022
Non-Aromatic Fluorescence in Biological Matter: The Exception or the Rule?
The Journal of Physical Chemistry B (2022)
Uriel N. Morzan | Gonzalo Díaz Mirón | Luca Grisanti | Mariano C. González Lebrero | Gabriele S. Kaminski Schierle | Ali Hassanali
Journal article
2022
Charge Gradients around Dendritic Voids Cause Nanoscale Inhomogeneities in Liquid Water
The Journal of Physical Chemistry Letters (2022)
Tereza Schönfeldová | Nathan Dupertuis | Yixing Chen | Narjes Ansari | Emiliano Poli | David M. Wilkins | Ali Hassanali | Sylvie Roke
Journal article
2022
Intracellular Aβ42 Aggregation Leads to Cellular Thermogenesis
Journal of the American Chemical Society (2022)
Chyi Wei Chung | Amberley D. Stephens | Tasuku Konno | Edward Ward | Edward Avezov | Clemens F. Kaminski | Ali A. Hassanali | Gabriele S. Kaminski Schierle
Journal article
2022
The behavior of methane–water mixtures under elevated pressures from simulations using many-body potentials
The Journal of Chemical Physics (2022)
Victor Naden Robinson | Raja Ghosh | Colin K. Egan | Marc Riera | Christopher Knight | Francesco Paesani | Ali Hassanali
Journal article
2022
High-Dimensional Fluctuations in Liquid Water: Combining Chemical Intuition with Unsupervised Learning
Journal of Chemical Theory and Computation (2022)
Adu Offei-Danso | Ali Hassanali | Alex Rodriguez
Journal article
2022
Learning the Hydrophobic, Hydrophilic, and Aromatic Character of Amino Acids from Thermal Relaxation and Interfacial Thermal Conductance
The Journal of Physical Chemistry B (2022)
Heydar Hamzi | Ali Rajabpour | Édgar Roldán | Ali Hassanali
Journal article
2022
Deep-learning density functionals for gradient descent optimization
Physical Review E (2022)
E. Costa | G. Scriva | R. Fazio | S. Pilati

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