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View the latest research published by CMSP scientists.

Preprint
2025
Topological magic response in quantum spin chains
Ritu Nehra | Poetri Sonya Tarabunga | Martina Frau | Mario Collura | Emanuele Tirrito | Marcello Dalmonte
Journal article
2025
The Unique Polaron Behavior at Anatase TiO2 (101) Surfaces under Water Modification: A Constrained Density Functional Theory Study
The Journal of Physical Chemistry C (2025)
Ran Zhang | Rutong Si | Yun-Bo Li | Nicola Seriani | Wen-Jin Yin | Ralph Gebauer
Preprint
2025
Basis dependence of Neural Quantum States for the Transverse Field Ising Model
Ronald Santiago Cortes | Aravindh S. Shankar | Marcello Dalmonte | Roberto Verdel | Nils Niggemann
Preprint
2025
Interplay of entanglement structures and stabilizer entropy in spin models
Michele Viscardi | Marcello Dalmonte | Alioscia Hamma | Emanuele Tirrito
Preprint
2025
Investigating the Role of pH and Counterions in the Intrinsic Fluorescence of Solid-State L-Lysine
The Journal of Physical Chemistry B (2025)
Marta Monti | Luca Cimmino | Gonzalo Díaz Mirón | Carlo Diaferia | Debarshi Banerjee | Martina Stella | Luigi Vitagliano | Antonella Accardo | Ali Hassanali
Preprint
2025
Superdiffusion and anomalous fluctuations in chiral integrable dynamics
Cristiano Muzzi | Devendra Singh Bhakuni | Marcello Dalmonte | Lenart Zadnik | Hernan B. Xavier
Preprint
2025
Network theory classification of quantum matter based on wave function snapshots
Riccardo Andreoni | Vittorio Vitale | Cristiano Muzzi | Guido Caldarelli | Roberto Verdel | Marcello Dalmonte
Journal article
2025
Chiral Graviton Modes on the Lattice
Physical Review Letters (2025)
Hernan B. Xavier | Zeno Bacciconi | Titas Chanda | Dam Thanh Son | Marcello Dalmonte
Journal article
2025
Robustness of nonstabilizerness in the quantum Ising chain via quantum Monte Carlo tomography
Physical Review B (2025)
Hari Timsina | Yi-Ming Ding | Emanuele Tirrito | Poetri Sonya Tarabunga | Bin-Bin Mao | Mario Collura | Zheng Yan | Marcello Dalmonte
Journal article
2025
Heat-to-motion conversion for quantum active matter
Physical Review B (2025)
Alexander-Georg Penner | Ludmila Viotti | Rosario Fazio | Liliana Arrachea | Felix von Oppen
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

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All publications
Journal article
2022
Ultrahigh reversible hydrogen storage in K and Ca decorated 4-6-8 biphenylene sheet
ArXiv (2022)
Mahamiya, Vikram | Shukla, Alok | Chakraborty, Brahmananda
Journal article
2022
Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters
ACS Omega (2022)
Vikram Mahamiya | Pritam Bhattacharyya | Alok Shukla
Journal article
2022
High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives
International Journal of Hydrogen Energy (2022)
Vikram Mahamiya
Journal article
2022
Remarkable enhancement in catechol sensing by the decoration of selective transition metals in biphenylene sheet: A systematic first-principles study
Journal of Physics D: Applied Physics (2022)
Mahamiya, V. | Dewangan, J. | Shukla, A. | Chakraborty, B.
Journal article
2022
Influence of Defects on the Valley Polarization Properties of Monolayer MoS2 Grown by Chemical Vapor Deposition
ArXiv (2022)
Mujeeb, Faiha | Chakrabarti, Poulab | Mahamiya, Vikram | Shukla, Alok | Dhar, Subhabrata
Journal article
2022
Scandium decorated C24 fullerene as high capacity reversible hydrogen storage material: Insights from density functional theory simulations
Applied Surface Science (2022)
Vikram Mahamiya
Journal article
2022
Potential reversible hydrogen storage in Li-decorated carbon allotrope PAI-Graphene: A first-principles study
International Journal of Hydrogen Energy (2022)
Vikram Mahamiya | Vikram Mahamiya | Alok Shukla | Brahmananda Chakraborty
Journal article
2022
Prediction of a novel 2D porous boron nitride material with excellent electronic, optical and catalytic properties
Physical Chemistry Chemical Physics (2022)
Vikram Mahamiya
Journal article
2022
Influence of compressive strain on the hydrogen storage capabilities of graphene: a density functional theory study
Bulletin of Materials Science (2022)
Mahamiya, V. | Shukla, A. | Garg, N. | Chakraborty, B.
Journal article
2022
TD-DFT modeling of electronic spectra of biliverdins in different environments
International Journal of Quantum Chemistry (2022)
Gonzalo Díaz Mirón | Darío A. Estrin | Sara Elizabeth Bari | Mariano Camilo González Lebrero
Preprint
2022
Tensor network simulation of chains of non-Markovian open quantum systems
Gerald E. Fux | Dainius Kilda | Brendon W. Lovett | Jonathan Keeling
Journal article
2022
Using the Environment to Understand non-Markovian Open Quantum Systems
Quantum (2022)
Gerald Fux
Journal article
2022
Multistage Kondo effect in a multiterminal geometry: A modular quantum interferometer
ArXiv (2022)
Karki, D. B | Pavlov, Andrei I | Kiselev, Mikhail N
Journal article
2022
Heat Conductance Oscillations in Two Weakly Connected Charge Kondo Circuits
Communications in Physics (2022)
Thanh Thi Kim Nguyen | Mikhail Kiselev
Journal article
2022
Thermoelectrics of a two-channel charge Kondo circuit: Role of electron-electron interactions in a quantum point contact
Physical Review B (2022)
A. V. Parafilo | T. K. T. Nguyen | M. N. Kiselev
Journal article
2022
Entanglement Hamiltonians: From Field Theory to Lattice Models and Experiments
Annalen der Physik (2022)
Marcello Dalmonte | Viktor Eisler | Marco Falconi | Benoît Vermersch
Preprint
2022
Elastic stripes formation at electronic transitions
Giuliano Chiriacò | Andrew J. Millis
Journal article
2022
Optimal quantum annealing: A variational shortcut-to-adiabaticity approach
Physical Review A (2022)
Passarelli, G. | Fazio, R. | Lucignano, P.
Journal article
2022
Correlation engineering via nonlocal dissipation
Physical Review Research (2022)
Seetharam, K. | Lerose, A. | Fazio, R. | Marino, J.
Journal article
2022
Statistical physics of inhomogeneous transport: Unification of diffusion laws and inference from first-passage statistics.
Physical review. E (2022)
Belousov R | Hassanali A | Roldán É
Journal article
2022
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems
Journal of Chemical Theory and Computation (2022)
Martina Stella | Kritam Thapa | Luigi Genovese | Laura E. Ratcliff
Journal article
2022
Probing disorder in 2CzPN using core and valence states
Physical Chemistry Chemical Physics (2022)
Nathalie K. Fernando | Martina Stella | William Dawson | Takahito Nakajima | Luigi Genovese | Anna Regoutz | Laura E. Ratcliff
Journal article
2022
Hematite surfaces: Band bending and local electronic states
Physical Review Materials (2022)
Ralph Gebauer | S. Rostami | N. Seriani | R. Gebauer
Journal article
2022
Oxygen vacancy suppress room temperature ferromagnetism of p-type Cu doped ZnO: Synthesis and density functional theory
Micro and Nanostructures (2022)
Ralph Gebauer | Hassan Ahmoum | Guojian Li | Mourad Boughrara | Ralph Gebauer | Mohd Sukor Su'ait | Karim Tanji | Mohamed Kerouad | Qiang Wang
Journal article
2022
Blue and black phosphorene on metal substrates: a density functional theory study
Journal of Physics: Condensed Matter (2022)
Abhishek K Adak | Devina Sharma | Shobhana Narasimhan
Journal article
2022
Localization in the Discrete Non-linear Schrödinger Equation and Geometric Properties of the Microcanonical Surface
Journal of Statistical Physics (2022)
Claudio Arezzo | Federico Balducci | Riccardo Piergallini | Antonello Scardicchio | Carlo Vanoni
Journal article
2022
Localization and Melting of Interfaces in the Two-Dimensional Quantum Ising Model
Physical Review Letters (2022)
Federico Balducci | Andrea Gambassi | Alessio Lerose | Antonello Scardicchio | Carlo Vanoni
Preprint
2022
Elastic stripes formation at electronic transitions
Giuliano Chiriacò | Andrew J. Millis
Preprint
2022
Gauge-theoretic origin of Rydberg quantum spin liquids
P. S. Tarabunga | F. M. Surace | R. Andreoni | A. Angelone | M. Dalmonte
Preprint
2022
Entanglement Hamiltonians: from field theory, to lattice models and experiments
M. Dalmonte | V. Eisler | M. Falconi | B. Vermersch

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