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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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All publications
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
Non-stabilizerness versus entanglement in matrix product states
M. Frau | P. S. Tarabunga | M. Collura | M. Dalmonte | E. Tirrito
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 ...
Journal article
2024
Optimizing Performance of Quantum Operations with Non-Markovian Decoherence: The Tortoise or the Hare?
Physical Review Letters (2024)
Eoin P. Butler | Gerald E. Fux | Carlos Ortega-Taberner | Brendon W. Lovett | Jonathan Keeling | Paul R. Eastham
Journal article
2024
Measurement-induced transitions beyond Gaussianity: A single particle description
Rosario Fazio
Journal article
2024
Cover Picture: On‐Surface Isomerization of Indigo within 1D Coordination Polymers (Angew. Chem. Int. Ed. 15/2024)
Angewandte Chemie International Edition (2024)
Hongxiang Xu | Ritam Chakraborty | Abhishek Kumar Adak | Arpan Das | Biao Yang | Dennis Meier | Alexander Riss | Joachim Reichert | Shobhana Narasimhan | Johannes V. Barth | Anthoula C. Papageorgiou
Journal article
2024
Parent Hamiltonian Reconstruction via Inverse Quantum Annealing
Rosario Fazio
Journal article
2024
Thermoelectric transport across a tunnel contact between two charge Kondo circuits: Beyond perturbation theory
Physical Review B (2024)
T. K. T. Nguyen | H. Q. Nguyen | M. N. Kiselev
Journal article
2024
On‐Surface Isomerization of Indigo within 1D Coordination Polymers
Angewandte Chemie (2024)
Hongxiang Xu | Ritam Chakraborty | Abhishek Kumar Adak | Arpan Das | Biao Yang | Dennis Meier | Alexander Riss | Joachim Reichert | Shobhana Narasimhan | Johannes V. Barth | Anthoula C. Papageorgiou
Journal article
2024
Many-Body Dynamics in Monitored Atomic Gases without Postselection Barrier
Rosario Fazio
Journal article
2024
Titelbild: On‐Surface Isomerization of Indigo within 1D Coordination Polymers (Angew. Chem. 15/2024)
Angewandte Chemie (2024)
Hongxiang Xu | Ritam Chakraborty | Abhishek Kumar Adak | Arpan Das | Biao Yang | Dennis Meier | Alexander Riss | Joachim Reichert | Shobhana Narasimhan | Johannes V. Barth | Anthoula C. Papageorgiou
Journal article
2024
Network science: Ising states of matter
Physical Review E (2024)
Hanlin Sun | Rajat Kumar Panda | Roberto Verdel | Alex Rodriguez | Marcello Dalmonte | Ginestra Bianconi
Journal article
2024
On-Surface Isomerization of Indigo within 1D Coordination Polymers
Angewandte Chemie International Edition (2024)
Xu, Hongxiang | Chakraborty, Ritam | Adak, Abhishek Kumar | Das, Arpan | Yang, Biao | Meier, Dennis | Riss, Alexander | Reichert, Joachim | Narasimhan, Shobhana | Barth, Johannes V. | Papageorgiou, Anthoula C.
Journal article
2024
Spectral properties of the critical (1+1)-dimensional Abelian-Higgs model
Physical Review B (2024)
Titas Chanda | Marcello Dalmonte | Maciej Lewenstein | Jakub Zakrzewski | Luca Tagliacozzo
Journal article
2024
Deep-learning interatomic potential for iron at extreme conditions
Physical Review B (2024)
Zhi Li | Sandro Scandolo
Journal article
2024
Exploratory data science on supercomputers for quantum mechanical calculations
Electronic Structure (2024)
William Dawson | Louis Beal | Laura E Ratcliff | Martina Stella | Takahito Nakajima | Luigi Genovese
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
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
Preprint
2024
Nonstabilizerness via matrix product states in the Pauli basis
Poetri Sonya Tarabunga | Emanuele Tirrito | Mari Carmen Bañuls | Marcello Dalmonte
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

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