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GPAW: An open Python package for electronic structure calculations.
Mortensen JJ, Larsen AH, Kuisma M, Ivanov AV, Taghizadeh A, Peterson A, Haldar A, Dohn AO, Schäfer C, Jónsson EÖ, Hermes ED, Nilsson FA, Kastlunger G, Levi G, Jónsson H, Häkkinen H, Fojt J, Kangsabanik J, Sødequist J, Lehtomäki J, Heske J, Enkovaara J, Winther KT, Dulak M, Melander MM, Ovesen M, Louhivuori M, Walter M, Gjerding M, Lopez-Acevedo O, Erhart P, Warmbier R, Würdemann R, Kaappa S, Latini S, Boland TM, Bligaard T, Skovhus T, Susi T, Maxson T, Rossi T, Chen X, Schmerwitz YLA, Schiøtz J, Olsen T, Jacobsen KW, Thygesen KS. Mortensen JJ, et al. Among authors: kastlunger g. J Chem Phys. 2024 Mar 7;160(9):092503. doi: 10.1063/5.0182685. J Chem Phys. 2024. PMID: 38450733
Impact of palladium/palladium hydride conversion on electrochemical CO2 reduction via in-situ transmission electron microscopy and diffraction.
Abdellah AM, Ismail F, Siig OW, Yang J, Andrei CM, DiCecco LA, Rakhsha A, Salem KE, Grandfield K, Bassim N, Black R, Kastlunger G, Soleymani L, Higgins D. Abdellah AM, et al. Among authors: kastlunger g. Nat Commun. 2024 Jan 31;15(1):938. doi: 10.1038/s41467-024-45096-3. Nat Commun. 2024. PMID: 38296966 Free PMC article.
Fundamental Drivers of Electrochemical Barriers.
Chen X, Kastlunger G, Peterson AA. Chen X, et al. Among authors: kastlunger g. Phys Rev Lett. 2023 Dec 8;131(23):238003. doi: 10.1103/PhysRevLett.131.238003. Phys Rev Lett. 2023. PMID: 38134804
Unraveling the reaction mechanisms for furfural electroreduction on copper.
Liu S, Mukadam Z, Scott SB, Sarma SC, Titirici MM, Chan K, Govindarajan N, Stephens IEL, Kastlunger G. Liu S, et al. Among authors: kastlunger g. EES Catal. 2023 Apr 28;1(4):539-551. doi: 10.1039/d3ey00040k. eCollection 2023 Jul 6. EES Catal. 2023. PMID: 37426696 Free PMC article.
24 results