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View the latest research published by CMSP scientists.

Journal article
2025
Silver Copper Oxide: A p-Type Transparent Conductive Oxide?
ACS Applied Energy Materials (2025)
Abhishek Rawat | Juan Carlos Expósito Gálvez | Mohammad Arham Shamim | Abhishek K. Adak | Chuzhong Zhang | Clement U. Nwokeji | Riddhi Ananth | Anushka Dasgupta | Enrique Ramirez | Sumit Kewalramani | Péter S. Tóth ...
Preprint
2025
Defects at Play: Shaping the Photophysics and Photochemistry of Ice
Marta Monti | Yu Jin | Gonzalo Díaz Mirón | Arpan Kundu | Marco Govoni | Giulia Galli | Ali Hassanali
Preprint
2025
Deconstructing the Origins of Interfacial Catalysis: Why Electric Fields are Inseparable from Solvation
Solana Di Pino | Debarshi Banerjee | Marta Monti | Gonzalo Diaz Miron | Giuseppe Cassone | Ali Hassanali
Preprint
2025
Dynamical Heterogeneity in Supercooled Water and its Spectroscopic Fingerprints
Cesare Malosso | Edward Danquah Donkor | Stefano Baroni | Ali Hassanali
Journal article
2025
Ultrahigh TER ratios and nonvolatile behavior in dual-polarized GaAs/In2Se3 heterostructures: A first-principles study
Applied Physics Letters (2025)
Weijie Liao | Da-Wei Deng | Jifeng Luo | Li-Xiu Ran | Nicola Seriani | Zhenkun Tang | Wen-Jin Yin | Ralph Gebauer
Journal article
2025
One‐Step Tunable MoS2 with Enhanced Zn2+ Diffusion for High‐Energy Zinc‐Ion Hybrid Capacitors
Advanced Science (2025)
Harshitha B. Tyagaraj | Vikram Mahamiya | Supriya J. Marje | Gagankumar Sakleshpur Kumar | Shalmali R. Burse | Swapnil R Patil | Ebrahim Al Hajri | Nilesh R. Chodankar | Yun Suk Huh | Young Kyu Han
Journal article
2025
Mechanical-force-driven charge redistribution for hydrogen release at ambient conditions in transition-metal-intercalated bilayer graphene
Physical Review Materials (2025)
Jongdeok Kim | Vikram Mahamiya | Massimiliano Di Ventra | Hoonkyung Lee
Journal article
2025
Emergent deterministic entanglement dynamics in monitored infinite-range bosonic systems
Physical Review B (2025)
Zejian Li | Anna Delmonte | Rosario Fazio
Preprint
2025
Anomalously fast transport in non-integrable lattice gauge theories
Devendra Singh Bhakuni | Roberto Verdel | Jean-Yves Desaules | Maksym Serbyn | Marko Ljubotina | Marcello Dalmonte
Preprint
2025
Ultrafast Solvent Dynamics Drives the Formation of the Hydrated Electron in Photoexcited Water
Gonzalo Díaz Mirón | Cesare Malosso | Solana Di Pino | Colin K. Egan | Diganta Disgupta | Christopher J. Mundy | Ali Hassanali
Preprint
2025
Ultrafast Solvent Dynamics Drives the Formation of the Hydrated Electron in Photoexcited Water
Gonzalo Díaz Mirón | Cesare Malosso | Solana Di Pino | Colin K. Egan | Diganta Disgupta | Christopher J. Mundy | Ali Hassanali
Preprint
2025
Real-time scattering and freeze-out dynamics in Rydberg-atom lattice gauge theory
De-Sheng Xiang | Peng Zhou | Chang Liu | Hao-Xiang Liu | Yao-Wen Zhang | Dong Yuan | Kuan Zhang | Biao Xu | Marcello Dalmonte | Dong-Ling Deng | Lin Li

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All publications
Journal article
2025
Silver Copper Oxide: A p-Type Transparent Conductive Oxide?
ACS Applied Energy Materials (2025)
Abhishek Rawat | Juan Carlos Expósito Gálvez | Mohammad Arham Shamim | Abhishek K. Adak | Chuzhong Zhang | Clement U. Nwokeji | Riddhi Ananth | Anushka Dasgupta | Enrique Ramirez | Sumit Kewalramani | Péter S. Tóth ...
Preprint
2025
Defects at Play: Shaping the Photophysics and Photochemistry of Ice
Marta Monti | Yu Jin | Gonzalo Díaz Mirón | Arpan Kundu | Marco Govoni | Giulia Galli | Ali Hassanali
Preprint
2025
Deconstructing the Origins of Interfacial Catalysis: Why Electric Fields are Inseparable from Solvation
Solana Di Pino | Debarshi Banerjee | Marta Monti | Gonzalo Diaz Miron | Giuseppe Cassone | Ali Hassanali
Preprint
2025
Dynamical Heterogeneity in Supercooled Water and its Spectroscopic Fingerprints
Cesare Malosso | Edward Danquah Donkor | Stefano Baroni | Ali Hassanali
Journal article
2025
Ultrahigh TER ratios and nonvolatile behavior in dual-polarized GaAs/In2Se3 heterostructures: A first-principles study
Applied Physics Letters (2025)
Weijie Liao | Da-Wei Deng | Jifeng Luo | Li-Xiu Ran | Nicola Seriani | Zhenkun Tang | Wen-Jin Yin | Ralph Gebauer
Journal article
2025
One‐Step Tunable MoS2 with Enhanced Zn2+ Diffusion for High‐Energy Zinc‐Ion Hybrid Capacitors
Advanced Science (2025)
Harshitha B. Tyagaraj | Vikram Mahamiya | Supriya J. Marje | Gagankumar Sakleshpur Kumar | Shalmali R. Burse | Swapnil R Patil | Ebrahim Al Hajri | Nilesh R. Chodankar | Yun Suk Huh | Young Kyu Han
Journal article
2025
Mechanical-force-driven charge redistribution for hydrogen release at ambient conditions in transition-metal-intercalated bilayer graphene
Physical Review Materials (2025)
Jongdeok Kim | Vikram Mahamiya | Massimiliano Di Ventra | Hoonkyung Lee
Journal article
2025
Emergent deterministic entanglement dynamics in monitored infinite-range bosonic systems
Physical Review B (2025)
Zejian Li | Anna Delmonte | Rosario Fazio
Preprint
2025
Anomalously fast transport in non-integrable lattice gauge theories
Devendra Singh Bhakuni | Roberto Verdel | Jean-Yves Desaules | Maksym Serbyn | Marko Ljubotina | Marcello Dalmonte
Preprint
2025
Ultrafast Solvent Dynamics Drives the Formation of the Hydrated Electron in Photoexcited Water
Gonzalo Díaz Mirón | Cesare Malosso | Solana Di Pino | Colin K. Egan | Diganta Disgupta | Christopher J. Mundy | Ali Hassanali
Preprint
2025
Ultrafast Solvent Dynamics Drives the Formation of the Hydrated Electron in Photoexcited Water
Gonzalo Díaz Mirón | Cesare Malosso | Solana Di Pino | Colin K. Egan | Diganta Disgupta | Christopher J. Mundy | Ali Hassanali
Preprint
2025
Real-time scattering and freeze-out dynamics in Rydberg-atom lattice gauge theory
De-Sheng Xiang | Peng Zhou | Chang Liu | Hao-Xiang Liu | Yao-Wen Zhang | Dong Yuan | Kuan Zhang | Biao Xu | Marcello Dalmonte | Dong-Ling Deng | Lin Li
Journal article
2025
Many-body open quantum systems
SciPost Physics Lecture Notes (2025)
Rosario Fazio | Jonathan Keeling | Leonardo Mazza | Marco Schirò
Journal article
2025
Short-range order stabilizes a cubic iron alloy in Earth’s inner core
Nature Communications (2025)
Zhi Li | Sandro Scandolo
Journal article
2025
Acid–Base Chemistry of Short Hydrogen Bonds: A Tale of Schrödinger’s Cat in Glutamine-Derived Crystals
The Journal of Physical Chemistry Letters (2025)
Muhammad Nawaz Qaisrani | Nandha Kumar | Christian Dreßler | Ralph Gebauer | Ali Hassanali
Journal article
2025
Quantum Computing for Photosensitizer Design in Photodynamic Therapy
Annual Review of Biomedical Data Science (2025)
Hope Zehr | Alberto Baiardi | Francesco Tacchino | Anthony Gandon | Laurin E. Fischer | Yue Xu | Frank P. DiFilippo | Leonardo Guidoni | Pi A.B. Haase | Walter N. Talarico | Martina Stella | Fabio Tarocco | Anton Nykänen ...
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
Opportunities and Challenges in Unsupervised Learning: The Case of Aqueous Electrolyte Solutions
Giulia Sormani | Alex Rodriguez | Ali Hassanali
Preprint
2025
pH-Driven Fluorescence in Solid-State Lysine
Marta Monti | Luca Cimmino | Gonzalo Díaz Mirón | Carlo Diaferia | Debarshi Banerjee | Martina Stella | Luigi Vitagliano | Antonella Accardo | Ali Hassanali
Preprint
2025
Robustness of Magic in the quantum Ising chain via Quantum Monte Carlo tomography
Hari Timsina | Yi-Ming Ding | Emanuele Tirrito | Poetri Sonya Tarabunga | Bin-Bin Mao | Mario Collura | Zheng Yan | Marcello Dalmonte
Preprint
2025
Universal Spreading of Nonstabilizerness and Quantum Transport
Emanuele Tirrito | Poetri Sonya Tarabunga | Devendra Singh Bhakuni | Marcello Dalmonte | Piotr Sierant | Xhek Turkeshi
Journal article
2025
Bipolarons on dry and wet reduced rutile (110) surfaces: A constrained density functional theory study
Physical Review B (2025)
Yun-Bo Li | Da-Wei Deng | Wen-Jin Yin | Nicola Seriani | Ralph Gebauer
Preprint
2025
Dynamical Heterogeneity in Supercooled Water and its Spectroscopic Fingerprints
The Journal of Chemical Physics (2025)
Cesare Malosso | Edward Danquah Donkor | Stefano Baroni | Ali Hassanali
Preprint
2025
Deconstructing the Origins of Interfacial Catalysis: Why Electric Fields are Inseparable from Solvation
Solana Di Pino | Debarshi Banerjee | Marta Monti | Gonzalo Diaz Miron | Giuseppe Cassone | Ali Hassanali
Journal article
2025
Local vs Nonlocal Dynamics in Cavity-Coupled Rydberg Atom Arrays
Physical Review Letters (2025)
Zeno Bacciconi | Hernan B. Xavier | Matteo Marinelli | Devendra Singh Bhakuni | Marcello Dalmonte
Journal article
2025
Towards a robust approach to infer causality from molecular dynamics simulations
The Journal of Chemical Physics (2025)
Vittorio Del Tatto | Debarshi Banerjee | Ali Hassanali | Alessandro Laio
Preprint
2025
Defects at Play: Shaping the Photophysics and Photochemistry of Ice
Marta Monti | Yu Jin | Gonzalo Díaz Mirón | Arpan Kundu | Marco Govoni | Giulia Galli | Ali Hassanali
Journal article
2025
Dynamics of edge modes in monitored Su-Schrieffer-Heeger models
Physical Review B (2025)
Giulia Salatino | Gianluca Passarelli | Angelo Russomanno | Giuseppe E. Santoro | Procolo Lucignano | Rosario Fazio
Preprint
2025
Interplay of entanglement structures and stabilizer entropy in spin models
Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito
Journal article
2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations
The Journal of Physical Chemistry A (2025)
B. Hourahine | M. Berdakin | J. A. Bich | F. P. Bonafé | C. Camacho | Q. Cui | M. Y. Deshaye | G. Díaz Mirón | S. Ehlert | M. Elstner | T. Frauenheim | N. Goldman | R. A. González León | T. van der Heide | S. Irle ...

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