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View the latest research published by CMSP scientists.

Preprint
2026
Chiral Graviton Modes in Fermionic Fractional Chern Insulators
Min Long | Zeno Bacciconi | Hongyu Lu | Hernan B. Xavier | Zi Yang Meng | Marcello Dalmonte
Preprint
2026
Quantum nuclear and band-dispersion effects recover near-UV absorption in short-hydrogen-bonded organic crystals
Jonas Hänseroth | Max Großmann | Malte Grunert | Ali Hassanali | Erich Runge | Christian Dreßler | Muhammad Nawaz Qaisrani
Journal article
2026
Generalized stochastic spin-wave theory for open quantum spin systems
Physical Review B (2026)
Zejian Li | Anna Delmonte | Rosario Fazio
Preprint
2026
Investigating causality between principal components in protein dynamics
Debarshi Banerjee | Ali Hassanali | Alessandro Laio
Journal article
2026
Good Practices for Simulation Studies Published in The Journal of Physical Chemistry B
The Journal of Physical Chemistry B (2026)
Christophe Chipot | Jiali Gao | Benoît Roux | Ali A. Hassanali | Barbara Kirchner | Joan-Emma Shea
Preprint
2026
Transferable machine learning of excited-state dynamics with extremal pooling
Cesare Malosso | Wei Bin How | Gonzalo Díaz Mirón | Ali Hassanali | Michele Ceriotti
Journal article
2026
Entanglement Transition in Unitary System-Bath Dynamics
Physical Review Letters (2026)
Bo Xing | Giuliano Chiriacò | Paola Cappellaro | Rosario Fazio | Dario Poletti
Journal article
2026
Computational Sciences from Africa and the African Diaspora
The Journal of Physical Chemistry C (2026)
Ali A Hassanali
Journal article
2026
Current precision in interacting hybrid normal-superconducting systems
Physical Review B (2026)
Nahual Sobrino | Fabio Taddei | Rosario Fazio | Michele Governale
Preprint
2026
Machine learning the non-radiative decay modes in photochemical processes
Debarshi Banerjee | Gonzalo Díaz Mirón | Alex Rodriguez | Ali Hassanali
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
Preprint
2026
Beyond the Virial Expansion: Microscopic Origins of Partial Molar Volumes in LiCl Solutions
Chun-Ting Lin | Diganta Dasgupta | Tinglu Yang | Cesare Malosso | Giulia Sormani | Colin Egan | Giovanni Bussi | Ali Hassanali | Paul S. Cremer

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All publications
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
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.
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
Preprint
2024
The Joint Solvation Interaction
Entropy (2024)
Ali Hassanali | Colin K. Egan
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
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
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

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