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View the latest research published by CMSP scientists.

Journal article
2025
Crystallization of L‐Cysteine in Heavy Water Induces Intrinsic Fluorescence
Angewandte Chemie (2025)
Debarshi Banerjee | Sonika Chibh | Om Shanker Tiwari | Gonzalo Díaz Mirón | Marta Monti | Hadar R. Yakir | Shweta Pawar | Dror Fixler | Linda J. W. Shimon | Ehud Gazit | Ali Hassanali
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
Interplay of entanglement structures and stabilizer entropy in spin models
Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito
Journal article
2025
Monitored long-range interacting systems: spin-wave theory for quantum trajectories
Nature Communications (2025)
Zejian Li | Anna Delmonte | Xhek Turkeshi | Rosario Fazio
Journal article
2025
Computational Simulations and Strategies for Optimal Hydrogen Storage Materials Design
PRX Energy (2025)
Vikram Mahamiya | Alok Shukla | Abhishek Kumar Adak | Hoonkyung Lee | Nicola Seriani | Ralph Gebauer
Preprint
2025
Chiral Gravitons on the Lattice
Hernan B. Xavier | Zeno Bacciconi | Titas Chanda | Dam Thanh Son | Marcello Dalmonte
Preprint
2025
Family-Vicsek universality of the binary intrinsic dimension of nonequilibrium data
Roberto Verdel | Devendra Singh Bhakuni | Santiago Acevedo
Journal article
2025
Data-Driven Discovery of the Origins of UV Absorption in the Alpha-3C Protein
The Journal of Physical Chemistry B (2025)
Germaine Neza Hozana | Gonzalo Díaz Mirón | Ali Hassanali
Preprint
2025
Local vs non-local dynamics in cavity-coupled Rydberg atom arrays
Zeno Bacciconi | Hernan B. Xavier | Matteo Marinelli | Devendra Singh Bhakuni | Marcello Dalmonte
Journal article
2025
Measurement-induced phase transitions in monitored infinite-range interacting systems
Physical Review Research (2025)
Anna Delmonte | Zejian Li | Gianluca Passarelli | Eric Yilun Song | Diego Barberena | Ana Maria Rey | Rosario Fazio
Journal article
2025
Breaking of Lorentz invariance caused by the interplay between spin-orbit interaction and transverse phonon modes in quantum wires
Physical Review Research (2025)
D. V. Efremov | Weyner Ccuiro | Luis E. F. Foa Torres | M. N. Kiselev
Journal article
2025
Design of radionuclide separations based on MD simulations
Analytica Chimica Acta (2025)
I. Giménez | Giulia Sormani | Rodríguez. A | Hassanali. A | Héctor Bagán Navarro | Alex Tarancón

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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
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 | Marta Monti | Uriel N. Morzan ...
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
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
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
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
Nonstabilizerness via matrix product states in the Pauli basis
Poetri Sonya Tarabunga | Emanuele Tirrito | Mari Carmen Bañuls | Marcello Dalmonte
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
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 Diaz Miron | Carlos R. Lien-Medrano | Debarshi Banerjee | Uriel Nicolas 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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