Matthias Krack

15.4k citations

70 papers · 9.4k indexed · 2 hit papers · h-index 25

Impact in

Catalysis top 1%
Atomic and Molecular Physics, and Optics top 0.5%
- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies
- Quantum, superfluid, helium dynamics

Papers in

Inorganic Chemistry 18
- Radioactive element chemistry and processing 12
Materials Chemistry 41
- Nuclear Materials and Properties 10
- Phase-change materials and chalcogenides 6

Co-authors: Michele Parrinello Fawzi Mohamed Jürg Hutter Joost VandeVondele Thomas D. Kühne Marco Bernasconi S. Caravati Michiel Sprik
Journals: Journal of Physics Condensed Matter (6 papers)The Journal of Chemical Physics (6 papers)Environmental Science & Technology (5 papers)The Journal of Physical Chemistry C (3 papers)Physical Review Letters (3 papers)
Partner nations: Switzerland Germany Italy

In The Last Decade

Matthias Krack

68 papers receiving 9.3k citations

Hit Papers

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Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach 2005 · 4.6k citations

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if any of the following hold:

it has ≥500 total citations;
it reaches ≥1.5× the top-1% citation threshold for papers in the same subfield and year (the threshold is the minimum needed to enter the top 1%, not the average within it);
it reaches the top citation threshold in at least one of its specific research topics.

2005 Computer Physics Communications
2005 Theoretical Chemistry Accounts

Peers

Countries citing papers authored by Matthias Krack

Since Specialization

Citations

This map shows the geographic impact of Matthias Krack's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Matthias Krack with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Matthias Krack more than expected).

Fields of papers citing papers by Matthias Krack

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Matthias Krack. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Matthias Krack. The network helps show where Matthias Krack may publish in the future.

Co-authors

The 25 scholars most cited alongside Matthias Krack, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Matthias Krack Line = papers co-authored together Matthias Krack links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	Incorporation Mechanism of Tc(IV) in Magnetite Revealed by EXAFS Measurements and Ab Initio Simulations The Journal of Physical Chemistry C ·O. V. Barnych, Matthias Krack, Thomas Zimmermann, Andreas C. Scheinost, Sergey V. Churakov	2025	0
2	Unraveling the interlayer and intralayer coupling in two-dimensional layered MoS 2 by X-ray absorption spectroscopy and ab initio molecular dynamics simulations Materials Today Communications ·聖子内藤, Dmitry Bocharov, Andris Anspoks, Matthias Krack, Aleksandr Kalinko, Edmund Welter, Alexei Kuzmin	2023	4
3	Cobalt-free layered perovskites RBaCuFeO_5+δ (R = 4f lanthanide) as electrocatalysts for the oxygen evolution reaction EES Catalysis ·Elena Marelli, Jike Lyu, C C Eluke, Namita Pradhan, Tian Shang, Nur Sena Yüzbasi, Koudai Hagiwara, Jinzhen Huang, SABAHATTİN SAİP, Adam H. Clark, Denis Sheptyakov, Thomas Graule, Maarten Nachtegaal, E. Pomjakushina, Thomas J. Schmidt, Matthias Krack, Emiliana Fabbri, M. Medarde	2023	10
4	Dynamically disordered hydrogen bonds in the hureaulite-type phosphatic oxyhydroxide Mn5[(PO4)2(PO3(OH))2](HOH)4 The Journal of Chemical Physics ·Sigrid Wallaert, Fanni Jurànyi, Matthias Krack, P. Lunkenheimer, Marija Vėžienė, Denis Sheptyakov, Carsten Paulmann, Markus Appel, S.-H. Park	2022	1
5	Study of High-Temperature Behaviour of ZnO by Ab Initio Molecular Dynamics Simulations and X-ray Absorption Spectroscopy Materials ·Dmitry Bocharov, 聖子内藤, Konstantin Klementiev, Matthias Krack, Alexei Kuzmin	2021	7
6	A comprehensive study of structure and properties of nanocrystalline zinc peroxide Journal of Physics and Chemistry of Solids ·Dmitry Bocharov, E Bwgmann, Armarion Stegall, Jevgēņijs Gabrusenoks, Reinis Ignatāns, R. Kalendarev, Matthias Krack, K. Kundziņš, Alexei Kuzmin, Н. Миронова-Улмане, 聖子内藤, Laurits Puust, I. Sildos, E. Vasil’chenko, ANATIELLY CRISTIANE CAVALCANTE CAMPOS, J. Purāns	2021	15
7	Characterization of Structural Iron in Smectites — An Ab Initio Based X-ray Absorption Spectroscopy Study Environmental Science & Technology ·Sakharovskaia Zv, Rainer Dähn, Matthias Krack, Sergey V. Churakov	2019	15
8	The Effect of Excess Electron and hole on CO2 Adsorption and Activation on Rutile (110) surface Scientific Reports ·Wen‐Jin Yin, Bo Wen, Sateesh Bandaru, Matthias Krack, Nelson Vanegas M, Limin Liu	2016	52
9	Effects of stoichiometry on the defect clustering in uranium dioxide Journal of Physics Condensed Matter ·Mohamed Samy Mohamed, Matthias Krack, Andreas Pautz	2015	9
10	First-principles study of nitrogen doping in cubic and amorphous Ge₂Sb₂Te₅ Journal of Physics Condensed Matter ·S. Caravati, 剛四方, Riccardo Mazzarello, Thomas D. Kühne, Matthias Krack, Marco Bernasconi, Michele Parrinello	2011	46
11	Probing the Mechanical Properties of Hybrid Inorganic–Organic Frameworks: A Computational and Experimental Study ChemPhysChem ·Monica Kosa, Jin‐Chong Tan, R. Frezzotti, Matthias Krack, Anthony K. Cheetham, Michele Parrinello	2010	36
12	Unravelling the Mechanism of Pressure Induced Amorphization of Phase Change Materials Physical Review Letters ·S. Caravati, Marco Bernasconi, Thomas D. Kühne, Matthias Krack, Michele Parrinello	2009	88
13	Superionic Conduction in Substoichiometric LiAl Alloy: AnAb InitioStudy Physical Review Letters ·Clotilde S. Cucinotta, Giacomo Miceli, Paolo Raiteri, Matthias Krack, Thomas D. Kühne, Marco Bernasconi, Michele Parrinello	2009	17
14	Comparative classical and ‘ab initio’ molecular dynamics study of molten and glassy germanium dioxide Journal of Physics Condensed Matter ·L B Kliashtorin, L. Devies, Simona Ispas, Matthias Krack, Kurt Binder	2008	18
15	Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics Physical Review Letters ·Thomas D. Kühne, Matthias Krack, Fawzi Mohamed, Michele Parrinello	2007	331
16	Isobaric–Isothermal Monte Carlo Simulations from First Principles: Application to Liquid Water at Ambient Conditions ChemPhysChem ·Matthew J. McGrath, J. Ilja Siepmann, I‐Feng W. Kuo, Christopher J. Mundy, Joost VandeVondele, Jürg Hutter, Fawzi Mohamed, Matthias Krack	2005	86
17	Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals Theoretical Chemistry Accounts ·Matthias Krack Hit paper breakdown →	2005	1366
18	Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach Computer Physics Communications ·Joost VandeVondele, Matthias Krack, Fawzi Mohamed, Michele Parrinello, Mike Gravenor, Jürg Hutter Hit paper breakdown →	2005	4622
19	Water structure as a function of temperature from X-ray scattering experiments and ab \ninitio molecular dynamics eScholarship (California Digital Library) ·Greg L. Hura, Daniela Russo, Robert M. Glaeser, Teresa Head‐Gordon, Matthias Krack, Michele Parrinello	2003	180
20	Stability of medium size silicon clusters Chemical Physics ·Karl Jug, Matthias Krack	1993	10

About Matthias Krack

Matthias Krack is a scholar working on Inorganic Chemistry, Materials Chemistry, Ceramics and Composites, Atomic and Molecular Physics, and Optics and Physical and Theoretical Chemistry, having authored 70 papers that have together received 9.4k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (17 papers), Spectroscopy and Quantum Chemical Studies (16 papers), Radioactive element chemistry and processing (12 papers), Nuclear Materials and Properties (10 papers), Phase-change materials and chalcogenides (6 papers), Chalcogenide Semiconductor Thin Films (6 papers), X-ray Spectroscopy and Fluorescence Analysis (6 papers) and Iron oxide chemistry and applications (5 papers). The work is most often cited by research in Catalysis (760 citations), Atomic and Molecular Physics, and Optics (3.2k citations), Materials Chemistry (4.5k citations), Inorganic Chemistry (1.3k citations) and Physical and Theoretical Chemistry (724 citations). Matthias Krack has collaborated with scholars based in Switzerland, Germany and Italy. Frequent co-authors include Michele Parrinello, Fawzi Mohamed, Jürg Hutter, Joost VandeVondele, Thomas D. Kühne, Marco Bernasconi, S. Caravati, Michiel Sprik, Andreas M. Köster and I‐Feng W. Kuo. Their work appears in journals such as Journal of Physics Condensed Matter, The Journal of Chemical Physics, Environmental Science & Technology, The Journal of Physical Chemistry C and Physical Review Letters.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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