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View the latest research published by CMSP scientists.

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

Journal article

2026

Entanglement Transition in Unitary System-Bath Dynamics

Physical Review Letters (2026)

Bo Xing | Giuliano Chiriacò | Paola Cappellaro | Rosario Fazio | Dario Poletti

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

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

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

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

Glassy Arrest Behind the Apparent Second Liquid in Water

Florian Pabst | Ali Hassanali

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All publications

Journal article

2018

Hydrogen Bonds and Life in the Universe.

Life (Basel, Switzerland) (2018)

Vladilo G | Hassanali A

Journal article

2018

A Data Science Approach to Understanding Water Networks Around Biomolecules: The Case of Tri-Alanine in Liquid Water.

The journal of physical chemistry. B (2018)

Jong K | Hassanali AA

Journal article

2018

One-Dimensional Confinement Inhibits Water Dissociation in Carbon Nanotubes.

The journal of physical chemistry letters (2018)

Sirkin YAP | Hassanali A | Scherlis DA

Journal article

2018

Hierarchical lattice models of hydrogen-bond networks in water.

Physical review. E (2018)

Dandekar R | Hassanali AA

Journal article

2018

Occupation probabilities as variables in electronic structure theory: cooper pairing, OP-NSOFT-Cs,t, and the homogeneous electron liquid

European Physical Journal B (2018)

Gebauer, R. | Cohen, M.H. | Car, R.

Journal article

2018

Characterization of peroxo reaction intermediates in the water oxidation process on hematite surfaces

Journal of Molecular Modeling (2018)

Poaty, L.T. | Ulman, K. | Seriani, N. | M’Passi-Mabiala, B. | Gebauer, R.

Journal article

2018

Magnetoelectric ϵ -Fe<inf>2</inf>O<inf>3</inf>: DFT study of a potential candidate for electrode material in photoelectrochemical cells

Journal of Chemical Physics (2018)

Ahamed, I. | Ulman, K. | Seriani, N. | Gebauer, R. | Kashyap, A.

Journal article

2018

Transient superconductivity without superconductivity

Physical Review B (2018)

Giuliano Chiriaco

Journal article

2018

Statistics of orthogonality catastrophe events in localised disordered lattices

New Journal of Physics (2018)

Cosco, F. | Borrelli, M. | Laine, E.-M. | Pascazio, S. | Scardicchio, A. | Maniscalco, S.

Preprint

2018

Voltage induced metal-insulator transition in a one dimensional charge density wave

Giuliano Chiriacò | Andrew J. Millis

Journal article

2018

Voltage-induced metal-insulator transition in a one-dimensional charge density wave

Physical Review B (2018)

Giuliano Chiriaco

Preprint

2018

Thermal drag in electronic conductors

Bibek Bhandari | Giuliano Chiriacò | Paolo A. Erdman | Rosario Fazio | Fabio Taddei

Journal article

2018

Energy transport in a disordered spin chain with broken U(1) symmetry: Diffusion, subdiffusion, and many-body localization

Physical Review B (2018)

Schulz, M. | Taylor, S.R. | Hooley, C.A. | Scardicchio, A.

Journal article

2018

Return probability for the Anderson model on the random regular graph

Physical Review B (2018)

Bera, S. | De Tomasi, G. | Khaymovich, I.M. | Scardicchio, A.

Preprint

2018

Transient superconductivity without superconductivity

Giuliano Chiriacò | Andrew J. Millis | Igor L. Aleiner

Journal article

2018

Long-range interactions from U (1) gauge fields via dimensional mismatch

Journal of Statistical Mechanics: Theory and Experiment (2018)

Marcello Dalmonte

Journal article

2018

Many-Body Localization Dynamics from Gauge Invariance

Physical Review Letters (2018)

Marcello Dalmonte

Journal article

2018

Entanglement Hamiltonians of lattice models via the Bisognano-Wichmann theorem

Physical Review B (2018)

Marcello Dalmonte

Journal article

2018

Quantum simulation and spectroscopy of entanglement Hamiltonians

Nature Physics (2018)

M. Dalmonte | B. Vermersch | P. Zoller

Journal article

2018

SO(3) “Nuclear Physics” with ultracold Gases

Annals of Physics (2018)

Marcello Dalmonte

Journal article

2018

Rényi Entropies from Random Quenches in Atomic Hubbard and Spin Models

Physical Review Letters (2018)

Marcello Dalmonte

Journal article

2018

Nontopological parafermions in a one-dimensional fermionic model with even multiplet pairing

Physical Review B (2018)

Marcello Dalmonte

Journal article

2018

Unitary<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>n</mml:mi></mml:math>-designs via random quenches in atomic Hubbard and spin models: Application to the measurement of Rényi entropies

Physical Review A (2018)

Marcello Dalmonte

Journal article

2018

Density Functional Theory Study of Water Photo-Oxidation at Copper Oxide Nanostructures on the Anatase (101) Surface

The Journal of Physical Chemistry C (2018)

Seriani, Nicola | Scandolo, Sandro | Amolo, George | Makau, Nicholas | Meng'wa, Victor

Journal article

2018

FAST training programme at synchrotron facilities by IUPAP-IUCr LAAAMP project

Acta Crystallographica Section A: Foundations and Advances (2018)

Scandolo, Sandro | Mtingwa, Sekazi K. | Zema, Michele

Journal article

2018

Growing Materials Science in Africa - The Case of the African School for Electronic Structure Methods and Applications (ASESMA)

MRS Advances (2018)

Scandolo, Sandro | Martin, Richard | Joubert, Daniel | Hassanali, Ali | Chetty, Nithaya | Amolo, George

Journal article

2018

Phase diagram of oxygen at extreme pressure and temperature conditions: An ab initio study

Physical Review B (2018)

Montoya, Javier A. | Scandolo, Sandro | Biswas, Sananda | Cogollo-Olivo, Beatriz H.

Journal article

2018

Thermal drag in electronic conductors

Physical Review B (2018)

Rosario Fazio

Journal article

2018

Persistent currents by reservoir engineering

Physical Review A (2018)

Rosario Fazio

Journal article

2018

Squeezing Enhances Quantum Synchronization

Physical Review Letters (2018)

Rosario Fazio

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