2024 -		Assistant professor, Department of Physical Chemistry and Materials Science, University of Szeged

2022		Short-term postdoctoral researcher, University of New Mexico
		Group of Prof. Hua Guo

2018 - 2024		Postdoctoral researcher, University of Szeged
		Group of Prof. Gábor Czakó

2013 - 2017		PhD in Theoretical Chemistry, Eötvös Loránd University
		summa cum laude
		Supervisors: Prof. Attila G. Császár and Dr. Tamás Szidarovszky
		PhD Thesis: Variational determination of resonance states of weakly-bound molecular complexes (PDF)
2011 - 2013		MSc in Chemistry, Eötvös Loránd University
		with honors
		Supervisors: Prof. András Perczel and Dr. Tamás Beke-Somfai
		MSc Thesis: Quantum chemical modeling of the unfolding of β-sheets aided by first layer water molecules (PDF)
2008 - 2011		BSc in Chemistry, Eötvös Loránd University
		with honors
		Supervisors: Prof. András Perczel and Dr. Gábor Pohl
		BSc Thesis: A quantum chemical study on the stability of amyloid structures (in Hungarian) (PDF)

2013		Chalmers University of Technology, Gothenburg, Sweden (6 months)
		Group of Prof. Bengt Nordén
		Research topic: Mechanical force induced unfolding of β-sheet motifs aided by first layer water molecules (quantum chemical study)

[24] A dynamic isotope effect in the nucleophilic substitution reaction between F⁻ + CD₃I
A. Ayasli, A. Khan, T. Gstir, T. Michaelsen, D. Papp, Y. Wang, H. Song, M. Yang, G. Czakó, R. Wester
Nat. Commun., 2025, 16, 2318, (PDF)

[23] Benchmark ab initio characterization of the multi-channel Cl + CH₃X [X = F, Cl, Br, I] reactive potential energy surfaces
D. R. Gál, D. Papp*, G. Czakó
Phys. Chem. Chem. Phys., 2024, 26, 17695, (PDF)

[22] Dynamics of the HCl + C₂H₅ multi-channel reaction on a full-dimensional ab initio potential energy surface
K. Horváth, V. Tajti, D. Papp*, G. Czakó
J. Phys. Chem. A, 2024, 128, 22, 4474, (PDF)

[21] First-principles mode-specific reaction dynamics
G. Czakó, B. Gruber, D. Papp, V. Tajti, D. A. Tasi, C. Yin
Phys. Chem. Chem. Phys., 2024, 26, 15818, Perspective (PCCP 25th Anniversary Collection) & Front cover, (PDF)

[20] Imaging the ion-molecule reaction dynamics of O⁻ + CD₄
A. Ayasli, P. Tóth, T. Michaelsen, T. Gstir, F. Zappa, D. Papp, G. Czakó, R. Wester
J. Phys. Chem. A, 2024, 128, 3078, (PDF)

[19] Phosphorus-centered ion-molecule reactions: benchmark ab initio characterization of the potential energy surfaces of the X⁻ + PH₂Y [X, Y = F, Cl, Br, I] systems
B. Ballay, T. Szűcs, D. Papp*, G. Czakó
Phys. Chem. Chem. Phys., 2023, 25, 28925, (PDF)

[18] Alternating stereospecificity upon central-atom change: Dynamics of the F⁻ + PH₂Cl S_N2 reaction compared to its C- and N-centered analogues
A. Giricz, G. Czakó, D. Papp*
Chem. Eur. J., 2023, 29, e202302113, Selected as publication of the month by the Hungarian Academy of Sciences (PDF)

[17] CH₄.F⁻ revisited: full-dimensional ab initio potential energy surface and variational vibrational states
D. Papp*, V. Tajti, G. Avila, E. Mátyus, G. Czakó
Mol. Phys., 2023, 126, e2113565, (PDF)

[16] Rotational mode-specificity in the Cl + C₂H₆ → HCl + C₂H₅ reaction
D. Papp*, G. Czakó
J. Phys. Chem. A, 2022, 126, 2551, (PDF)

[15] Vibrational mode-specific dynamics of the F(²P_3/2) + C₂H₆ → HF + C₂H₅ reaction
D. Papp*, G. Czakó
J. Chem. Phys., 2021, 155, 154302, (PDF)

[14] Vibrational mode-specificity in the dynamics of the Cl + C₂H₆ → HCl + C₂H₅ reaction
D. Papp*, J. Li, H. Guo, G. Czakó
J. Chem. Phys., 2021, 155, 114303, (PDF)

[13] Structural water stabilizes protein motifs in liquid protein phase: the folding mechanism of short β-sheets coupled to phase transition
D. Papp, I. C. Szigyártó, B. Nordén, A. Perczel, T. Beke-Somfai
Int. J. Mol. Sci., 2021, 22, 8595, (PDF)

[12] Facilitated inversion complicates the stereodynamics of an S_N2 reaction at nitrogen center
D. Papp*, G. Czakó
Chem. Sci., 2021, 12, 5410−5418, Front cover (PDF)

[11] First-principles reaction dynamics beyond six-atom systems
G. Czakó, T. Győri, D. Papp, V. Tajti, D. A. Tasi
J. Phys. Chem. A, 2021, 125, 2385−2393, Perspective & Front cover (PDF)

[10] Full-dimensional MRCI-F12 potential energy surface and dynamics of the F(²P_3/2) + C₂H₆ → HF + C₂H₅ reaction
D. Papp*, G. Czakó
J. Chem. Phys., 2020, 153, 064305 (PDF)

[9] Theory finally agrees with experiment for the dynamics of the Cl + C₂H₆ reaction
D. Papp, V. Tajti, T. Győri, G. Czakó
J. Phys. Chem. Lett., 2020, 11, 4762−4767, Selected as publication of the month by the Hungarian Academy of Sciences (PDF)

[8] Exact quantum dynamics background of dispersion interactions: case study for CH₄.Ar in full (12) dimensions
G. Avila, D. Papp*, G. Czakó, E. Mátyus
Phys. Chem. Chem. Phys., 2020, 22, 2792–2802, selected as 2020 HOT PCCP Article (PDF)

[7] Benchmark ab initio and dynamical characterization of the stationary points of reactive atom + alkane and S_N2 potential energy surfaces
G. Czakó, T. Győri, B. Olasz, D. Papp, I. Szabó, V. Tajti, D. A. Tasi
Phys. Chem. Chem. Phys., 2020, 22, 4298–4312, Perspective & Front cover (PDF)

[6] Detailed benchmark ab initio mapping of the potential energy surfaces of the X + C₂H₆ [X = F, Cl, Br, I] reactions
D. Papp*, B. Gruber, G. Czakó
Phys. Chem. Chem. Phys., 2019, 21, 396–408 (PDF)

[5] Rovibrational resonances in H₂He⁺
D. Papp, A. G. Császár, K. Yamanouchi, T. Szidarovszky
J. Chem. Theory Comput., 2018, 14(3), 1523-1533 (PDF)

[4] A general variational approach for computing rovibrational resonances of polyatomic molecules. Application to the weakly bound H₂He⁺ and H₂·CO systems
D. Papp, T. Szidarovszky, A. G. Császár
J. Chem. Phys., 2017, 147, 094106 (PDF)

[3] Complex rovibrational dynamics of the Ar·NO⁺ complex
D. Papp, J. Sarka, T. Szidarovszky, A. G. Császár, E. Mátyus, M. Hochlaf, T. Stoecklin
Phys. Chem. Chem. Phys., 2017, 19(12), 8123–8622, Front cover (PDF)

[2] Four faces of the interaction between ions and aromatic rings
D. Papp, P. Rovó, I. Jákli, A. G. Császár, A. Perczel
J. Comput. Chem., 2017, 38, 1762–1773 (PDF)

[1] The role of entropy in initializing the aggregation of peptides: A first principle study on oligopeptide oligomerization
G. Pohl, I. Jákli, I. G. Csizmadia, D. Papp, G. F. Matías, A. Perczel
Phys. Chem. Chem. Phys., 2012, 14(4), 1507–1516 (PDF)

[13] Modelling the impact of the central atom and the leaving group on the dynamics of S_N2 reactions
D. Papp, L. C. Erdei, D. R. Gál, A. Giricz, R. S. Gyimesi, G. Czakó
KeMoMo-QSAR Symposium, Szeged, Hungary, 2024

[12] Theoretical investigation of the effect of the central atom in the dynamics of ion-molecule reactions
D. Papp, L. C. Erdei, D. R. Gál, A. Giricz, R. S. Gyimesi, G. Czakó
Meeting of the Reaction Kinetics and Photochemistry Working Group of the Hungarian Academy of Sciences, Balatonvilágos, Hungary, 2024

[11] Creating chemical-reaction movies based on automated modeling
D. Papp
Lennard-Jones Centre Discussion Group series, University of Cambridge, UK, 2024, Invited talk

[10] Vibrational-, rotational- and stereo-specificity in the dynamics of atom + ethane and N/P-centered S_N2 reactions
D. Papp, A. Giricz, G. Czakó
Stereodynamics Conference, Rethymnon, Crete, Greece, 2022, Invited talk

[9] Vibrational dynamics of the CH₄.Ar and the CH₄.F⁻ complexes on spectroscopic-quality potential energy surfaces
D. Papp, G. Czakó
Meeting of the Reaction Kinetics and Photochemistry Working Group of the Hungarian Academy of Sciences, Mátrafüred, Hungary, 2022

[8] Dynamics of atom + ethane and nitrogen-centered S_N2 reactions
D. Papp, G. Czakó
Meeting of the Reaction Kinetics and Photochemistry Working Group of the Hungarian Academy of Sciences, Mátrafüred, Hungary, 2021

[7] Dynamics of atom + ethane and nitrogen-centered S_N2 reactions
D. Papp, G. Czakó
KeMoMo-QSAR Symposium, Szeged, Hungary, 2021

[6] Colorful quantum chemistry: from small molecules to the modeling of proteins
D. Papp
"Young chemists serving science" lecture day of the Hungarian Academy of Sciences, Szeged, Hungary, 2019

[5] Detailed benchmark ab initio mapping of the potential energy surfaces of the X + C₂H₆ [X = F, Cl, Br, I] reactions
D. Papp, B. Gruber, G. Czakó
Meeting of the Reaction Kinetics and Photochemistry Working Group of the Hungarian Academy of Sciences, Veszprém, Hungary, 2018

[4] Computation of unbound states of van der Waals complexes
D. Papp, T. Szidarovszky, T. Stoecklin, A. G. Császár
AMMB meeting, Mátrafüred, Hungary, 2016

[3] Computation of unbound states of van der Waals complexes
D. Papp, T. Szidarovszky, T. Stoecklin, A. G. Császár
Graduate Conference on Theoretical Chemistry, Keszthely, Hungary, 2016

[2] Rovibrational states of Ar·NO⁺ below and above dissociation
D. Papp, T. Szidarovszky, J. Sarka, T. Stoecklin, M. Hochlaf, A. G. Császár
The 14-th Central European Symposium on Theoretical Chemistry, Banská Bystrica, Slovakia, 2015

[1] Quantum chemical modeling of anion-aromatic interactions in proteins
D. Papp, P. Rovó, T. Földes, I. Jákli, A. Perczel
KeMoMo-QSAR Symposium, Szeged, Hungary, 2012

[9] Modelling the dynamics of abstraction and substitution processes in polyatomic reactions
D. Papp, G. Czakó
Quantum Reactive Scattering Workshop, Istanbul, Türkiye, 2024

[8] Dynamics of atom + ethane and N/P-centered ion + molecule reactions
D. Papp, G. Czakó
Molecular Interactions and Dynamics Gordon Research Conference, Boston, USA, 2022

[7] Benchmark ab initio study of the X + C₂H₆ [X = F, Cl, Br, I] systems, dynamics of the X + C₂H₆ [X = F, Cl] reactions, and PESs for spectroscopy
D. Papp, G. Czakó
International Workshop on Quantum Reactive Scattering, Tokyo, Japan, 2019

[6] Benchmark ab initio study of the X + C₂H₆ [X = F, Cl, Br, I] systems, dynamics of the X + C₂H₆ [X = F, Cl] reactions, and PESs for spectroscopy
D. Papp, G. Czakó
International Symposium on Molecular Beams, Edinburgh, Scotland, 2019

[5] Rovibrational resonances in H₂He⁺
D. Papp, A. G. Császár, K. Yamanouchi, T. Szidarovszky
Anharmonicity in medium-sized molecules and clusters, Budapest, Hungary, 2018

[4] Bound and unbound rovibrational states of ArNO⁺
D. Papp, T. Szidarovszky, J. Sarka, T. Stoecklin, M. Hochlaf, A. G. Császár
Anharmonicity in medium-sized molecules and clusters, Madrid, Spain, 2015

[3] Computing resonance states of polyatomic molecules: Vibrational resonance states of the Ne trimer
D. Papp, T. Szidarovszky, A. G. Császár
The 23rd International Conference on High Resolution Molecular Spectroscopy, Bologna, Italy, 2014

[2] Aromatic-anion interaction in the perspective of a new portable NBO visualization program
I. Jákli, A. Móricz, D. Papp, A. Perczel
The 9th European Conference of Computational Chemistry, Sopron, Hungary, 2013

[1] Analysis of the stability of amyloid structures in proteins
G. Pohl, I. Jákli, I. G. Csizmadia, D. Papp, G. F. Matías, A. Perczel
The Student Scientific Conference on Biotechnology and Biomedicine, Brno, Czech Republic, 2012

Campus Hungary Scholarship for Professional Practice, 2013 (6 months, Gothenburg, Sweden)
Scholarship of the Hungarian Republic, 2011/2012
Eötvös University Competition of Research Students: 1st place, 2011

University of Szeged:

Mathematical Chemistry, Chemistry MSc lecture 2024-
Mathematical Chemistry, Chemistry MSc seminar 2024-
General Chemistry, Chemistry BSc seminar, 2023-
Physical Chemistry 2, Chemistry BSc seminar, 2022-
Molecular Modeling, Chemistry and Molecular Bionics BSc lecture, 2022-
Molecular Modeling, Chemistry and Molecular Bionics BSc computer class, 2022-

Eötvös Loránd University:

Computational chemistry, Chemistry BSc computer class, 2013-2016
Mathematics in chemistry, Chemistry BSc seminar, 2014
Basic measurements is physics, Chemistry BSc laboratory practice, 2014

MSc project work of Deján Drágity, 2025-
BSc research and MSc project work of Laura Csenge Erdei, 2023-, Research Student Competition of the University of Szeged: 1st place
BSc and MSc research of Dorina Rebeka Gál, 2023-, Research Student Competition of the University of Szeged: 1st place (twice with two papers)
BSc and MSc research of Réka Sára Gyimesi, 2023-, Research Student Competition of the University of Szeged: 2nd place

BSc research of Anett Giricz, 2021-2022, Research Student Competition of the University of Szeged: 1st place, National Research Student Competition: 3rd place
BSc research of Balázs Gruber, 2018