K. Reuter
发表
A. Tkatchenko,
M. Scheffler,
X. Ren,
2012,
1201.0655.
M. Scheffler,
K. Reuter,
M. Andersen,
2019,
ACS Catalysis.
J. Behler,
K. Reuter,
S. Lorenz,
2007,
The Journal of chemical physics.
Johannes T. Margraf,
P. Rinke,
K. Reuter,
2020,
Scientific Data.
K. Reuter,
R. Maurer,
Konstantin Krautgasser,
2016,
The Journal of chemical physics.
Karsten Reuter,
K. Reuter,
A. Luntz,
2015,
The journal of physical chemistry letters.
K. Reuter,
2011
.
Matthias Scheffler,
Karsten Reuter,
John Kitchin,
2008,
0801.1144.
Hendrik H. Heenen,
K. Reuter,
A. Luntz,
2019,
The journal of physical chemistry letters.
K. Reuter,
C. Plaisance,
R. V. van Santen,
2016,
Faraday discussions.
Johannes T. Margraf,
Volker L. Deringer,
Gábor Csányi,
2020,
Accounts of chemical research.
M. Scheffler,
K. Reuter,
2005,
cond-mat/0510234.
V. Blum,
K. Reuter,
Yongsheng Zhang,
2007,
cond-mat/0701549.
M. Scheffler,
K. Reuter,
2003,
cond-mat/0304184.
M. Scheffler,
K. Reuter,
2003,
cond-mat/0301602.
K. Reuter,
C. Kunkel,
J. T. Margraf,
2019,
The Journal of chemical physics.
K. Reuter,
R. Maurer,
2013,
The Journal of chemical physics.
Finding the Right Bricks for Molecular Legos: A Data Mining Approach to Organic Semiconductor Design
Johannes T. Margraf,
K. Reuter,
H. Oberhofer,
2019,
Chemistry of Materials.
Ralf Gehrke,
Karsten Reuter,
K. Reuter,
2009
.
M. Scheffler,
K. Reuter,
J. Rogal,
2007,
cond-mat/0701777.
Matthias Scheffler,
Karsten Reuter,
M. Scheffler,
2001
.
Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values.
Karsten Reuter,
Christoph Schober,
Harald Oberhofer,
2015,
The Journal of chemical physics.
Gábor Csányi,
K. Reuter,
J. T. Margraf,
2020,
Nature Communications.
K. Reuter,
M. Andersen,
C. Plaisance,
2017,
The Journal of chemical physics.
H. Metiu,
K. Reuter,
2020,
Handbook of Materials Modeling.
K. Reuter,
R. Maurer,
2018,
Journal of physics. Condensed matter : an Institute of Physics journal.
K. Reuter,
N. Martsinovich,
T. Strunskus,
2018,
Nanoscale.
K. Reuter,
J. Barth,
Raphael Hellwig,
2018,
ACS nano.
R. Berndt,
K. Reuter,
R. Maurer,
2016,
The journal of physical chemistry letters.
A. Tkatchenko,
K. Reuter,
R. Maurer,
2016,
1605.05781.
K. Reuter,
R. Maurer,
P. Feulner,
2015
.
R. Berndt,
K. Reuter,
R. Maurer,
2013,
Angewandte Chemie.
K. Reuter,
J. Lercher,
A. Jentys,
2022,
JACS Au.
Stefan Goedecker,
Thierry Deutsch,
Luigi Genovese,
2010,
1003.5810.
R. Schlögl,
K. Reuter,
I. Vinke,
2021,
Advanced Materials Interfaces.
Karsten Reuter,
Roland Schmidt,
Robert Carley,
2010,
Journal of the American Chemical Society.
K. Reuter,
Christian Eickhoff,
C. Gahl,
2012,
Journal of physics. Condensed matter : an Institute of Physics journal.
K. Reuter,
C. Gahl,
M. Weinelt,
2008
.
K. Reuter,
H. Oberhofer,
Stefan Ringe,
2017,
The Journal of chemical physics.
K. Reuter,
N. Hörmann,
Simeon D. Beinlich,
2022,
ACS Catalysis.
M. Hoffmann,
K. Reuter,
2013,
1301.3285.
K. Reuter,
J. Schneider,
H. Briesen,
2014
.
K. Reuter,
Vanessa J. Bukas,
2016,
Physical review letters.
K. Reuter,
R. Maurer,
J. Barth,
2014,
The Journal of chemical physics.
Matteo Maestri,
Karsten Reuter,
K. Reuter,
2011
.
K. Reuter,
M. Maestri,
2012,
1204.0892.
Matthias Scheffler,
Qiang Sun,
Karsten Reuter,
2003,
cond-mat/0302075.
W. Acree,
K. Reuter,
H. Oberhofer,
2019,
The Journal of chemical physics.
Johannes T. Margraf,
Gábor Csányi,
K. Reuter,
2022,
Journal of chemical theory and computation.
K. Reuter,
M. Andersen,
G. Renaud,
2021,
ACS nano.
K. Reuter,
F. Netzer,
S. Surnev,
2010
.
J. Gustafson,
E. Lundgren,
M. Scheffler,
2003,
cond-mat/0304107.
M. V. Ganduglia-Pirovano,
M. Scheffler,
C. Stampfl,
2002
.
A. Stierle,
J. Gustafson,
E. Lundgren,
2003,
Physical review letters.
M. Scheffler,
K. Reuter,
J. Rogal,
2003,
cond-mat/0310235.
J. I. Juaristi,
K. Reuter,
Jörg Meyer,
2015,
Physical review letters.
Handong Sun,
K. Reuter,
R. Fischer,
2017,
Advanced materials.
Claire S. Adjiman,
Julio C. Facelli,
Sanjaya Lohani,
2016,
Acta crystallographica Section B, Structural science, crystal engineering and materials.
K. Reuter,
J. Lercher,
A. Jentys,
2022,
JACS Au.
K. Reuter,
H. F. Busnengo,
P. Abufager,
2011
.
Human- and machine-centred designs of molecules and materials for sustainability and decarbonization
J. Grossman,
Reshma R. Rao,
L. Giordano,
2022,
Nature Reviews Materials.
K. Reuter,
M. Andersen,
2021,
Accounts of chemical research.
M. Scheffler,
K. Reuter,
2005,
cond-mat/0510234.
M. Scheffler,
C. Stampfl,
K. Reuter,
2004,
cond-mat/0404510.
K. Reuter,
D. Palagin,
2012,
1207.0668.
K. Reuter,
Á. Vázquez-Mayagoitia,
H. Oberhofer,
2018,
The Journal of chemical physics.
K. Reuter,
C. Scheurer,
Sina Stegmaier,
2022,
Nanomaterials.
M. Scheffler,
K. Reuter,
2001,
cond-mat/0107229.
K. Reuter,
M. Grzywa,
D. Volkmer,
2012,
Chemical communications.
N. Marzari,
K. Reuter,
N. Hörmann,
2020,
npj Computational Materials.
K. Reuter,
S. Neogi,
W. Heckl,
2013,
Journal of the American Chemical Society.
Johannes T. Margraf,
K. Reuter,
C. Kunkel,
2022,
Chemistry of Materials.
M. Scheffler,
K. Reuter,
M. Todorova,
2005,
cond-mat/0501018.
A. Stierle,
J. Gustafson,
E. Lundgren,
2003,
Physical review letters.
J. Gustafson,
E. Lundgren,
M. Scheffler,
2003,
cond-mat/0304107.
K. Reuter,
Haobo Li,
2022,
ACS Catalysis.
K. Reuter,
M. Andersen,
Wenbin Xu,
2022,
Nature Computational Science.
K. Reuter,
M. Andersen,
Xiaojuan Yu,
2018
.
K. Reuter,
Zhen Yao,
2018
.
K. Reuter,
Tongyu Wang,
2015,
The Journal of chemical physics.
K. Reuter,
Jörg Meyer,
Vanessa J. Bukas,
2015,
The Journal of chemical physics.
K. Reuter,
Jörg Meyer,
Kalpataru Das,
2013,
Physical chemistry chemical physics : PCCP.
J. Gustafson,
E. Lundgren,
M. Hoffmann,
2013,
Physical review letters.
K. Reuter,
C. Scheurer,
Yonghyuk Lee,
2022,
ChemSusChem.
Johannes T. Margraf,
K. Reuter,
J. T. Margraf,
2022,
Nanomaterials.
Johannes T. Margraf,
K. Reuter,
J. T. Margraf,
2019,
Journal of Chemical Theory and Computation.
K. Reuter,
J. T. Margraf,
R. Jasti,
2018,
Angewandte Chemie.
Johannes T. Margraf,
K. Reuter,
J. T. Margraf,
2018,
Angewandte Chemie.
M. Scheffler,
K. Reuter,
J. Rogal,
2007,
cond-mat/0701777.
K. Reuter,
S. Neogi,
W. Heckl,
2013,
Journal of the American Chemical Society.
M. V. Ganduglia-Pirovano,
M. Scheffler,
C. Stampfl,
2001,
cond-mat/0109491.
Johannes T. Margraf,
Gábor Csányi,
K. Reuter,
2021,
ACS Applied Energy Materials.
M. Scheffler,
K. Reuter,
2003
.
Qiang Sun,
M. Scheffler,
K. Reuter,
2004
.
Qiang Sun,
M. Scheffler,
G. Ertl,
2003,
Angewandte Chemie.
Qiang Sun,
M. Scheffler,
G. Ertl,
2003
.
M. Scheffler,
K. Reuter,
2007
.
Human- and machine-centred designs of molecules and materials for sustainability and decarbonization
J. Grossman,
Reshma R. Rao,
L. Giordano,
2022,
Nature Reviews Materials.
J. Behler,
K. Reuter,
S. Lorenz,
2007,
The Journal of chemical physics.
J. Behler,
B. Delley,
M. Scheffler,
2004,
Physical review letters.
R. Luque,
K. Reuter,
J. Noveron,
2022,
Chemical Society reviews.
K. Reuter,
H. Oberhofer,
C. Panosetti,
2017,
Physical chemistry chemical physics : PCCP.
M. Scheffler,
K. Reuter,
2003,
cond-mat/0301602.
M. Scheffler,
K. Reuter,
2001,
cond-mat/0104306.
K. Reuter,
R. Eichel,
J. Granwehr,
2018,
Journal of magnetic resonance.
Maciej Grzywa,
Dirk Volkmer,
Karsten Reuter,
2014,
Angewandte Chemie.
Karsten Reuter,
K. Reuter,
R. Meyer,
2010
.
K. Reuter,
D. Volkmer,
D. Denysenko,
2015,
Chemistry.
K. Reuter,
Jörg Meyer,
E. McNellis,
2009,
0903.1055.
K. Reuter,
R. Maurer,
2012,
The Journal of chemical physics.
Karsten Reuter,
K. Reuter,
Jörg Meyer,
2009,
0909.2351.
K. Reuter,
J. Barth,
J. Ducke,
2021,
Journal of the American Chemical Society.
K. Reuter,
P. Tegeder,
M. Koch,
2013,
Journal of the American Chemical Society.
M. Samoć,
K. Reuter,
R. Fischer,
2017,
Angewandte Chemie.
K. Reuter,
H. Oberhofer,
C. Scheurer,
2018,
Molecular Physics.
M. V. Ganduglia-Pirovano,
M. Scheffler,
C. Stampfl,
2002
.
Matthias Scheffler,
Ralf Gehrke,
Karsten Reuter,
2009,
Comput. Phys. Commun..
K. Reuter,
Vanessa J. Bukas,
2017
.
K. Reuter,
R. Eichel,
R. Schierholz,
2021,
Advanced Energy Materials.
Li-Chiang Lin,
Maciej Haranczyk,
Abhoyjit S. Bhown,
2014
.
Johannes T. Margraf,
Gábor Csányi,
K. Reuter,
2021,
Chemical science.
K. Reuter,
H. Oberhofer,
J. Blumberger,
2017,
Chemical reviews.
Ulrike Krewer,
Roland Dittmeyer,
Karsten Reuter,
2016,
ChemCatChem.
Georg Kresse,
Matthias Scheffler,
Karsten Reuter,
2005,
cond-mat/0509014.
Matthias Scheffler,
Karsten Reuter,
Angelos Michaelides,
2005
.
A. Gross,
K. Reuter,
Jörg Meyer,
2013
.
K. Reuter,
J. Lercher,
D. Berger,
2016,
Angewandte Chemie.
K. Reuter,
Georg S Michelitsch,
2019,
The Journal of chemical physics.
K. Reuter,
M. García-Mota,
M. Rieger,
2015
.
Matthias Scheffler,
Karsten Reuter,
Angelos Michaelides,
2009,
0904.3734.
Tetsuya Sakurai,
Hans-Joachim Bungartz,
Gerhard Wellein,
2018,
Japan Journal of Industrial and Applied Mathematics.
K. Reuter,
A. Du,
Tianwei He,
2020
.
K. Reuter,
D. Palagin,
D. Harding,
2014,
The Journal of chemical physics.
Karsten Reuter,
Chiara Panosetti,
K. Reuter,
2015,
Nano letters.
Zachary W. Ulissi,
K. Reuter,
Yousung Jung,
2022,
The Journal of Physical Chemistry C.
Zachary W. Ulissi,
K. Reuter,
Yousung Jung,
2021
.
R. Schlögl,
K. Reuter,
J. T. Margraf,
2022,
Nature communications.
K. Reuter,
H. Oberhofer,
N. Hörmann,
2021,
Chemical reviews.
K. Reuter,
Jörg Meyer,
C. Bronner,
2010,
Physical chemistry chemical physics : PCCP.
Rainer Herges,
Stefan Bräse,
Karsten Reuter,
2015,
Physical chemistry chemical physics : PCCP.
K. Reuter,
Jörg Meyer,
2011,
1104.4212.
K. Reuter,
Jörg Meyer,
R. Maurer,
2014,
Front. Physics.
S. Soubatch,
K. Reuter,
Jörg Meyer,
2010
.
Karsten Reuter,
K. Reuter,
K. Morgenstern,
2011,
Physical review letters.
J. Lischner,
K. Reuter,
R. Maurer,
2021,
The journal of physical chemistry letters.
K. Reuter,
L. Petaccia,
S. Lizzit,
2008,
Journal of physics. Condensed matter : an Institute of Physics journal.
K. Reuter,
J. Lercher,
C. Plaisance,
2018,
Journal of the American Chemical Society.
K. Reuter,
A. Luntz,
J. Voss,
2017
.
U. Starke,
K. Reuter,
B. Lotsch,
2019,
Advanced Energy Materials.
K. Reuter,
J. Lercher,
A. Jentys,
2016,
The journal of physical chemistry. B.
Karsten Reuter,
Harald Oberhofer,
Mie Andersen,
2017,
The Journal of chemical physics.
Sebastian Matera,
Karsten Reuter,
Harald Oberhofer,
2016,
Journal of chemical theory and computation.
K. Reuter,
C. Scheurer,
H. H. Heenen,
2017,
Nano letters.
K. Reuter,
F. García-Vidal,
F. Flores,
2001
.
K. Reuter,
R. Maurer,
J. Barth,
2016,
Nano letters.
Johannes T. Margraf,
Karsten Reuter,
Albert Bruix,
2019,
Nature Catalysis.
Johannes T. Margraf,
K. Reuter,
T. Tsatsoulis,
2021,
The Journal of chemical physics.
J. Behler,
K. Reuter,
A. Dolfen,
2007
.
B. Delley,
M. Scheffler,
K. Reuter,
2006,
cond-mat/0605292.
J. Behler,
B. Delley,
K. Reuter,
2006,
cond-mat/0609416.
U. Starke,
J. Bernhardt,
K. Reuter,
1997
.
M. Scheffler,
K. Reuter,
Q. Hu,
2007,
Physical review letters.
Marie-Françoise Reyniers,
Maarten Sabbe,
Karsten Reuter,
2012
.
K. Reuter,
Vanessa J. Bukas,
Simon P. Rittmeyer,
2018
.
K. Reuter,
Vanessa J. Bukas,
2017,
The Journal of chemical physics.
J. Lü,
R. Berndt,
K. Reuter,
2015,
Physical review letters.
Karsten Reuter,
Harald Oberhofer,
Simiam Ghan,
2020,
Journal of chemical theory and computation.
K. Reuter,
C. Scheurer,
Zhu Liu,
2017,
The journal of physical chemistry. B.
K. Reuter,
R. Maurer,
2012,
Angewandte Chemie.
K. Heinz,
K. Reuter,
F. García-Vidal,
1998,
cond-mat/9810229.
Karsten Reuter,
Mie Andersen,
Chiara Panosetti,
2019,
Front. Chem..
M. Scheffler,
H. Metiu,
K. Reuter,
2008,
0805.4356.
Johannes T. Margraf,
Karsten Reuter,
K. Reuter,
2019,
ACS omega.
Sebastian Matera,
Karsten Reuter,
Sandra Döpking,
2018,
The Journal of chemical physics.
Sebastian Matera,
Karsten Reuter,
Juan M Lorenzi,
2017,
The Journal of chemical physics.
K. Reuter,
2016,
Catalysis Letters.
Sebastian Matera,
Alberto Cuoci,
Matteo Maestri,
2014
.
Sebastian Matera,
Karsten Reuter,
Max J. Hoffmann,
2014,
Comput. Phys. Commun..
Sebastian Matera,
Karsten Reuter,
K. Reuter,
2012,
1205.5400.
Sebastian Matera,
Hakim Meskine,
Karsten Reuter,
2011,
The Journal of chemical physics.
Sebastian Matera,
Karsten Reuter,
K. Reuter,
2010
.
Daan Frenkel,
Matthias Scheffler,
Karsten Reuter,
2004,
Physical review letters.
M. Scheffler,
K. Reuter,
2002,
Physical review letters.
K. Reuter,
M. Andersen,
A. Shavorskiy,
2022,
The journal of physical chemistry. C, Nanomaterials and interfaces.
Dirk Rosenthal,
Tongyu Wang,
Karsten Reuter,
2013,
1303.4203.
Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?
Hakim Meskine,
Matthias Scheffler,
Karsten Reuter,
2007,
The Journal of chemical physics.
Yu Wang,
Ulrike Diebold,
Michele Riva,
2020,
Physical review letters.
Ab Initio Thermodynamics of Hydrocarbons Relevant to Graphene Growth at Solid and Liquid Cu Surfaces
K. Reuter,
M. Andersen,
J. S. Cingolani,
2019,
The Journal of Physical Chemistry C.
Qiang Sun,
M. Scheffler,
K. Reuter,
2004
.
Qiang Sun,
M. Scheffler,
K. Reuter,
2003,
cond-mat/0302075.
M. Scheffler,
K. Reuter,
J. Rogal,
2006,
Physical review letters.
Juan M Lorenzi,
K. Reuter,
S. Matera,
2016
.
M. Scheffler,
K. Reuter,
M. Todorova,
2004
.
K. Reuter,
M. Andersen,
Hector Prats,
2022,
ACS Catalysis.
Johannes T. Margraf,
K. Reuter,
C. Scheurer,
2023,
Nature Catalysis.
Andrew J. Medford,
J. Nørskov,
K. Reuter,
2017
.
Andrew J. Medford,
J. Nørskov,
K. Reuter,
2016,
Angewandte Chemie.
J. Gustafson,
E. Lundgren,
M. Hoffmann,
2015,
1506.05542.
M. Scheffler,
M. Hoffmann,
K. Reuter,
2015,
1501.01710.
Karsten Reuter,
Mie Andersen,
Martin Deimel,
2020
.
K. Reuter,
C. Scheurer,
Frederic Felsen,
2022,
Chemical Engineering Journal.
Johannes T. Margraf,
K. Reuter,
C. Scheurer,
2021,
The Journal of chemical physics.
Johannes T. Margraf,
Gábor Csányi,
K. Reuter,
2021,
Mach. Learn. Sci. Technol..
K. Reuter,
Jörg Meyer,
M. Alducin,
2012,
1201.5514.
Sebastian Matera,
Karsten Reuter,
K. Reuter,
2009,
0909.4261.
Matthias Scheffler,
Karsten Reuter,
Jutta Rogal,
2008,
0802.0553.
K. Reuter,
J. Rogal,
2007
.
K. Reuter,
Jörg Meyer,
2014,
Angewandte Chemie.
M. V. Ganduglia-Pirovano,
M. Scheffler,
K. Reuter,
2002,
cond-mat/0205257.
V. Blum,
K. Reuter,
H. Oberhofer,
2017,
Journal of chemical theory and computation.
K. Reuter,
M. Andersen,
J. Kunze‐Liebhäuser,
2020,
Nature Catalysis.
J. Behler,
K. Reuter,
A. Grob,
2008,
Physical review letters.
Frank Neese,
Karsten Reuter,
Harald Oberhofer,
2016,
The journal of physical chemistry letters.
Johannes T. Margraf,
Youyong Li,
K. Reuter,
2021
.
K. Reuter,
M. Andersen,
Wenbin Xu,
2020,
ACS Catalysis.
L. Ghiringhelli,
K. Reuter,
S. Levchenko,
2015,
1706.05695.
Karsten Reuter,
Martin Willenbockel,
Benjamin Stadtmüller,
2015,
Chemical communications.
K. Reuter,
C. Plaisance,
Simeon D. Beinlich,
2018,
The Journal of Physical Chemistry C.
K. Reuter,
Jörg Meyer,
Simon P. Rittmeyer,
2017,
Physical review letters.
K. Reuter,
H. Oberhofer,
M. Muhler,
2013,
Angewandte Chemie.
K. Heinz,
K. Reuter,
F. García-Vidal,
1998,
cond-mat/9805008.
U. Starke,
K. Heinz,
J. Bernhardt,
1998,
cond-mat/9807217.
U. Starke,
K. Heinz,
J. Bernhardt,
1997
.
K. Heinz,
K. Reuter,
F. García-Vidal,
2000
.
K. Heinz,
D. Saldin,
K. Reuter,
1997
.
K. Reuter,
R. Maurer,
K. Diller,
2017,
The Journal of chemical physics.
K. Heinz,
D. Saldin,
V. Blum,
1998,
cond-mat/9803023.
U. Starke,
F. Bechstedt,
K. Heinz,
1998
.
K. Reuter,
H. Oberhofer,
J. Blumberger,
2019,
Journal of chemical theory and computation.
K. Reuter,
C. Scheurer,
Ary R. Ferreira,
2016
.
Johannes T. Margraf,
K. Reuter,
J. Margraf,
2021,
Nature Communications.
Johannes T. Margraf,
K. Reuter,
J. Margraf,
2021,
Nature Communications.
K. Reuter,
F. García-Vidal,
F. Flores,
1997,
cond-mat/9710091.
K. Reuter,
N. Hörmann,
2021,
Journal of physics. Condensed matter : an Institute of Physics journal.
K. Reuter,
T. Götsch,
S. Penner,
2021,
ACS catalysis.
K. Reuter,
Haobo Li,
2020
.
K. Reuter,
Jörg Meyer,
K. Morgenstern,
2014
.
Karsten Reuter,
Craig P Plaisance,
K. Reuter,
2017,
Journal of chemical theory and computation.
K. Reuter,
R. Maurer,
J. Tully,
2016,
The Journal of chemical physics.
K. Heinz,
D. Saldin,
K. Reuter,
1997
.
Johannes T. Margraf,
K. Reuter,
C. Kunkel,
2023,
Chemical science.
Byungchan Han,
Johannes T. Margraf,
Karsten Reuter,
2020,
ChemSystemsChem.
Johannes T. Margraf,
K. Reuter,
C. Kunkel,
2021
.
K. Reuter,
O. Magdysyuk,
D. Volkmer,
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