Ádám Madarász

HUN-REN Research Centre for Natural Sciences — Hungary

Physics and Astronomy · Physical Sciences

20h-index1.5kcitations84works0.42yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(25), Asymmetric Synthesis and Catalysis(15), Quantum, superfluid, helium dynamics(15), Synthetic Organic Chemistry Methods(11), Advanced Chemical Physics Studies(10)

Publications84 total

Dielectric properties of disordered crystalline materials: a computational case study on hexagonal ice
npj Computational Materials·2026Open Access
Systematic incorporation of nuclear quantum effects into atomistic simulations by smoothed trajectory analysis
ArXiv.org·2026Open Access
Systematic incorporation of nuclear quantum effects into atomistic simulations by smoothed trajectory analysis
arXiv (Cornell University)·2026Open Access
PIMD simulations of the Zundel cation with PIGSTA-based post-processing
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
PIMD simulations of the Zundel cation with PIGSTA-based post-processing
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Frequency-dependent PIMD weight functions from CP2K
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Frequency-dependent PIMD weight functions from CP2K
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
From Illumination to Prediction: A Kinetic Model for Photocatalytic Activity
2026Open Access
Input files and representative structures for: Dielectric Properties of Disordered Crystalline Materials: A Computational Case Study on Hexagonal Ice
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access
Input files and representative structures for: Dielectric Properties of Disordered Crystalline Materials: A Computational Case Study on Hexagonal Ice
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access
Dielectric Properties of Disordered Crystalline Materials: A Computational Case Study on Hexagonal Ice
2025
Molecular dynamics of water hexamer anions at cryogenic temperatures
The Journal of Chemical Physics·2025· 1 cited
PredPotS: web tool for predicting one-electron standard reduction potentials for organic molecules in aqueous phase
npj Computational Materials·2025Open Access
Molecular Dynamics of Water Hexamer Anions at Cryogenic Temperatures
2025Open Access
Dielectric Properties of Disordered Crystalline Materials: A Computational Case Study on Hexagonal Ice
2025
PredPotS – A Web Tool for Predicting One-Electron Standard Reduction Potentials for Organic Molecules in Aqueous Phase
2025Open Access
PredPotS – A Web Tool for Predicting One-Electron Standard Reduction Potentials for Organic Molecules in Aqueous Phase
2025Open Access
Nuclear quantum effects in hydrogen bonded liquids of small molecules
Journal of Molecular Liquids·2025· 1 cited
Application of Deconvolution in Path Integral Simulations
Journal of Chemical Theory and Computation·2024Open Access
Application of Deconvolution in Path Integral Simulations
2024
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Frequent Co-authors

Imre Pápai(19), Petri M. Pihko(15), László Túri(10), Péter Pál Fehér(8), András Stirling(8), Arto Valkonen(5), Antti J. Neuvonen(5), Andrea Hamza(5), Imre Bakó(5), Gokarneswar Sahoo(4), Hasibur Rahaman(4), Peter J. Rossky(4), Dénes Berta(4), Nicolas Probst(3), Kari Rissanen(3), Tamás Földes(3), Dávid Ferenc(3), Bence Baranyi(3), Mikko Melarto(2), Szilárd Varga(2)