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View the latest research published by CMSP scientists.

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
Preprint
2025
Water is a superacid at extreme thermodynamic conditions
Thomas Thévenet | Axel Dian | Alexis Markovits | Sandro Scandolo | Arthur France-Lanord | Flavio Siro Brigiano
Preprint
2025
Opportunities and Challenges in Unsupervised Learning: The Case of Aqueous Electrolyte Solutions
Giulia Sormani | Alex Rodriguez | Ali Hassanali
Journal article
2025
Boundary time crystals as AC sensors: Enhancements and constraints
SciPost Physics (2025)
Dominic Gribben | Anna Sanpera | Rosario Fazio | Jamir Marino | Fernando Iemini
Preprint
2025
Interplay of entanglement structures and stabilizer entropy in spin models
Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito
Preprint
2025
Towards a robust approach to infer causality in molecular systems satisfying detailed balance
Vittorio Del Tatto | Debarshi Banerjee | Ali Hassanali | Alessandro Laio
Preprint
2025
Turning on the Light: Polymorphism-Induced Photoluminescence in Cysteine Crystals
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
Turning on the Light: Polymorphism-Induced Photoluminescence in Cysteine Crystals
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

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All publications
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
Preprint
2024
Theory of fractional quantum Hall liquids coupled to quantum light and emergent graviton-polaritons
Zeno Bacciconi | Hernan Xavier | Iacopo Carusotto | Titas Chanda | 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 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
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

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