부산대학교 도서관

Beinlich, Simeon D.; Kastlunger, Georg; Reuter, Karsten; Hörmann, Nicolas G.

Govindarajan, N; Kastlunger, G; Gauthier, JA; Cheng, J; Filot, I; Hagopian, A; Hansen, HA; Huang, J; Kowalski, PM; Liu, J; Lombardi, JM; Maraschin, M; Peterson, A; Pillai, HS; Prats, H; Price, CJ; van Roij, R; Rossmeisl, J; Seemakurthi, RR; Shin, S; Smith, A; Zhu, J; Doblhoff-Dier, K

ACS Energy Lett
Govindarajan, N, Kastlunger, G, Gauthier, J A, Cheng, J, Filot, I, Hagopian, A, Hansen, H A, Huang, J, Kowalski, P M, Liu, J, Lombardi, J M, Maraschin, M, Peterson, A, Pillai, H S, Prats, H, Price, C J, van Roij, R, Rossmeisl, J, Seemakurthi, R R, Shin, S-J, Smith, A, Zhu, J-X & Doblhoff-Dier, K 2025, ' The Intricacies of Computational Electrochemistry ', ACS Energy Letters, vol. 10, no. 9, pp. 4277-4288 . https://doi.org/10.1021/acsenergylett.5c00748

Leary, E; Kastlunger, G; Limburg, B; Rincón-García, L; Hurtado-Gallego, J; González, MT; Bollinger, GR; Agrait, N; Higgins, SJ; Anderson, HL; Stadler, R; Nichols, RJ

Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
instname
Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA Nanociencia)
Nanoscale Horizons

Beinlich, S.; Kastlunger, G.; Reuter, K.; https://orcid.org/0000-0001-8473-8659; Hörmann, N.; https://orcid.org/0000-0001-6944-5575

Journal of Chemical Theory and Computation

Per Lindgren; Georg Kastlunger; Andrew A. Peterson

ACS Catalysis. 10:121-128

Simeon D. Beinlich; Georg Kastlunger; Karsten Reuter; Nicolas G. Hörmann

J Chem Theory Comput
Beinlich, S D, Kastlunger, G, Reuter, K & Hörmann, N G 2023, ' Controlled Electrochemical Barrier Calculations without Potential Control ', Journal of Chemical Theory and Computation, vol. 19, no. 22, pp. 8323−8331 . https://doi.org/10.1021/acs.jctc.3c00836

Herzog, Josha; Gregg, Simon; Gröninger, Lukas; Kastlunger, Filippo; Poppe, Johannes; Uhlig, Verena; Wei, Yixin; Weuster-Botz, Dirk

Applied Sciences. September, 2025, Vol. 15 Issue 17

Kastlunger G; Catalysis Theory Center, Department of Physics, Technical University of Denmark, Fysikvej, 2800, Kongens Lyngby, Denmark.; Vijay S; Catalysis Theory Center, Department of Physics, Technical University of Denmark, Fysikvej, 2800, Kongens Lyngby, Denmark.; Chen X; School of Engineering, Brown University, Hope Street, Providence, RI, USA.; Sharma S; School of Engineering, Brown University, Hope Street, Providence, RI, USA.; Peterson A; School of Engineering, Brown University, Hope Street, Providence, RI, USA.; Department of Energy Conversion and Storage, Technical University of Denmark, DK-2800 Kgs., Lyngby, Denmark.

Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 100954211 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1439-7641 (Electronic) Linking ISSN: 14394235 NLM ISO Abbreviation: Chemphyschem Subsets: PubMed not MEDLINE; MEDLINE

Abdellah AM; Department of Chemical Engineering, McMaster University, Hamilton, ON, Canada.; Ismail F; Department of Chemical Engineering, McMaster University, Hamilton, ON, Canada.; Siig OW; CatTheory, Department of Physics, Technical University of Denmark, Kongens Lyngby, Denmark.; Yang J; Department of Materials Science and Engineering, McMaster University, Hamilton, ON, Canada.; Andrei CM; Canadian Centre for Electron Microscopy, McMaster University, Hamilton, Canada.; DiCecco LA; School of Biomedical Engineering, McMaster University, Hamilton, Canada.; Rakhsha A; Department of Chemical Engineering, McMaster University, Hamilton, ON, Canada.; Salem KE; Department of Chemical Engineering, McMaster University, Hamilton, ON, Canada.; Grandfield K; Department of Materials Science and Engineering, McMaster University, Hamilton, ON, Canada.; School of Biomedical Engineering, McMaster University, Hamilton, Canada.; Bassim N; Department of Materials Science and Engineering, McMaster University, Hamilton, ON, Canada.; Canadian Centre for Electron Microscopy, McMaster University, Hamilton, Canada.; Black R; National Research Council of Canada, Energy, Mining, and Environment Research Centre, Mississauga, ON, Canada.; Kastlunger G; CatTheory, Department of Physics, Technical University of Denmark, Kongens Lyngby, Denmark. geokast@dtu.dk.; Soleymani L; School of Biomedical Engineering, McMaster University, Hamilton, Canada.; Department of Engineering Physics, McMaster University, Hamilton, Canada.; Higgins D; Department of Chemical Engineering, McMaster University, Hamilton, ON, Canada. higgid2@mcmaster.ca.; Canadian Centre for Electron Microscopy, McMaster University, Hamilton, Canada. higgid2@mcmaster.ca.

Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: PubMed not MEDLINE; MEDLINE

Sechi R; Department of Energy Conversion and Storage, Technical University of Denmark, Kongens Lyngby 2800, Denmark.; Kastlunger G; Catalysis Theory Center, Department of Physics, Technical University of Denmark, Kongens Lyngby 2800, Denmark.; Bhowmik A; Department of Energy Conversion and Storage, Technical University of Denmark, Kongens Lyngby 2800, Denmark.; Hansen HA; Department of Energy Conversion and Storage, Technical University of Denmark, Kongens Lyngby 2800, Denmark.

Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: PubMed not MEDLINE; MEDLINE

Patel DM; Catalysis Theory Center, Department of Physics, Technical University of Denmark (DTU), 2800 Kgs. Lyngby, Denmark.; Kastlunger G; Catalysis Theory Center, Department of Physics, Technical University of Denmark (DTU), 2800 Kgs. Lyngby, Denmark.

Publisher: American Chemical Society Country of Publication: United States NLM ID: 2985134R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6890 (Electronic) Linking ISSN: 00092665 NLM ISO Abbreviation: Chem Rev Subsets: PubMed not MEDLINE; MEDLINE

Mukadam Z; Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom.; Liu S; Catalysis Theory Center, Department of Physics, Technical University of Denmark (DTU), 2800 Kgs. Lyngby, Denmark.; Scott SB; Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom.; Department of Chemistry, University of Copenhagen, 2100 Copenhagen, Denmark.; Zhou Y; Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom.; Kastlunger G; Catalysis Theory Center, Department of Physics, Technical University of Denmark (DTU), 2800 Kgs. Lyngby, Denmark.; Ryan MP; Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom.; Titirici MM; Department of Chemical Engineering, Imperial College London, London SW7 2AZ, United Kingdom.; Stephens IEL; Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom.

Publisher: American Chemical Society Country of Publication: United States NLM ID: 9918975860106676 Publication Model: eCollection Cited Medium: Internet ISSN: 2997-0571 (Electronic) Linking ISSN: 29970571 NLM ISO Abbreviation: ACS Electrochem Subsets: PubMed not MEDLINE

Tripathi, A.; Ocampo-Restrepo, V.K.; Nørskov, J.; Kastlunger, G.

In: RSC Sustainability. (RSC Sustainability, 24 April 2025, 3(6):2659-2668)

Lindgren, Per; Kastlunger, Georg; Peterson, Andrew A.

ACS Catalysis. 1/3/2020, Vol. 10 Issue 1, p121-128. 8p.

Liu, S.; Kastlunger, G.; Mukadam, Z.; Pedersen, A.; Stephens, I.E.L.; Barrio, J.; Tyrrell, H.; Titirici, M.M.; Parker, J.; Haigh, S.J.

In: Journal of Physical Chemistry C. (Journal of Physical Chemistry C, 13 March 2025, 129(10):5032-5042)

B. Kastlunger; S. G. Dressler; E. Kirchler; Mittone, Luigi; M. Voracek

Journal of Economic Psychology. 31:542-552

Deng, W.; Zhang, P.; Gong, J.; Qiao, Y.; Kastlunger, G.; Govindarajan, N.; Xu, A.; Chorkendorff, I.; Seger, B.

In: Nature Communications. (Nature Communications, December 2024, 15(1))

Mortensen JJ; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Larsen AH; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Kuisma M; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Ivanov AV; Riverlane Ltd., St Andrews House, 59 St Andrews Street, Cambridge CB2 3BZ, United Kingdom.; Taghizadeh A; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Peterson A; School of Engineering, Brown University, Providence, Rhode Island 02912, USA.; Haldar A; Department of Electrical and Computer Engineering, Boston University, Boston, Massachusetts 02215, USA.; Dohn AO; Department of Physics, Technical University of Denmark, 2800 Lyngby, Denmark and Science Institute and Faculty of Physical Sciences, VR-III, University of Iceland, Reykjavík 107, Iceland.; Schäfer C; Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.; Jónsson EÖ; Science Institute and Faculty of Physical Sciences, University of Iceland, VR-III, 107 Reykjavík, Iceland.; Hermes ED; Quantum-Si, 29 Business Park Drive, Branford, Connecticut 06405, USA.; Nilsson FA; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Kastlunger G; CatTheory, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Levi G; Science Institute and Faculty of Physical Sciences, University of Iceland, VR-III, 107 Reykjavík, Iceland.; Jónsson H; Science Institute and Faculty of Physical Sciences, University of Iceland, VR-III, 107 Reykjavík, Iceland.; Häkkinen H; Departments of Physics and Chemistry, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä, Finland.; Fojt J; Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.; Kangsabanik J; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Sødequist J; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Lehtomäki J; Department of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Finland.; Heske J; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Enkovaara J; CSC-IT Center for Science Ltd., P.O. Box 405, FI-02101 Espoo, Finland.; Winther KT; SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA.; Dulak M; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Melander MM; Department of Chemistry, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä, Finland.; Ovesen M; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Louhivuori M; CSC-IT Center for Science Ltd., P.O. Box 405, FI-02101 Espoo, Finland.; Walter M; FIT Freiburg Centre for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, 79110 Freiburg, Germany.; Gjerding M; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Lopez-Acevedo O; Biophysics of Tropical Diseases, Max Planck Tandem Group, University of Antioquia UdeA, 050010 Medellin, Colombia.; Erhart P; Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.; Warmbier R; School of Physics and Mandelstam Institute for Theoretical Physics, University of the Witwatersrand, 1 Jan Smuts Avenue, 2001 Johannesburg, South Africa.; Würdemann R; Freiburger Materialforschungszentrum, Universität Freiburg, Stefan-Meier-Straße 21, D-79104 Freiburg, Germany.; Kaappa S; Computational Physics Laboratory, Tampere University, P.O. Box 692, FI-33014 Tampere, Finland.; Latini S; Nanomade, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Boland TM; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Bligaard T; Department of Energy Conversion and Storage, Technical University of Denmark, DK-2800 Lyngby, Denmark.; Skovhus T; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Susi T; Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria.; Maxson T; Department of Chemical and Biological Engineering, The University of Alabama, Tuscaloosa, Alabama 35487, USA.; Rossi T; CSC-IT Center for Science Ltd., P.O. Box 405, FI-02101 Espoo, Finland.; Chen X; School of Physical Science and Technology, Lanzhou University, Lanzhou, Gansu 730000, China.; Schmerwitz YLA; Science Institute and Faculty of Physical Sciences, University of Iceland, VR-III, 107 Reykjavík, Iceland.; Schiøtz J; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Olsen T; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Jacobsen KW; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.; Thygesen KS; CAMD, Department of Physics, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark.

Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE; MEDLINE

Luo, H.; Tarantino, G.; Ye, H.; Li, A.Y.; Hammond, C.; Titirici, M.-M.; Xu, M.; Liu, S.; Kastlunger, G.; Yadegari, H.; Stephens, I.E.L.

In: EES Catalysis. (EES Catalysis, 4 November 2024, 3(1):87-96)

Xu M; Catalysis Theory Center, Department of Physics, Technical University of Denmark, Kongens Lyngby, Denmark.; Liu S; Catalysis Theory Center, Department of Physics, Technical University of Denmark, Kongens Lyngby, Denmark.; Vijay S; Catalysis Theory Center, Department of Physics, Technical University of Denmark, Kongens Lyngby, Denmark.; Bligaard T; Catalysis Theory Center, Department of Physics, Technical University of Denmark, Kongens Lyngby, Denmark.; Kastlunger G; Catalysis Theory Center, Department of Physics, Technical University of Denmark, Kongens Lyngby, Denmark.

Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE; MEDLINE