Peterson A - Search Results

1

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: peterson a. J Chem Phys. 2024 Mar 7;160(9):092503. doi: 10.1063/5.0182685. J Chem Phys. 2024. PMID: 38450733

2

Acceleration of saddle-point searches with machine learning.

Peterson AA. Peterson AA. J Chem Phys. 2016 Aug 21;145(7):074106. doi: 10.1063/1.4960708. J Chem Phys. 2016. PMID: 27544086

3

The potential for machine learning in hybrid QM/MM calculations.

Zhang YJ, Khorshidi A, Kastlunger G, Peterson AA. Zhang YJ, et al. Among authors: peterson aa. J Chem Phys. 2018 Jun 28;148(24):241740. doi: 10.1063/1.5029879. J Chem Phys. 2018. PMID: 29960374

4

Face-centered tetragonal (FCT) Fe and Co alloys of Pt as catalysts for the oxygen reduction reaction (ORR): A DFT study.

Sharma S, Zeng C, Peterson AA. Sharma S, et al. Among authors: peterson aa. J Chem Phys. 2019 Jan 28;150(4):041704. doi: 10.1063/1.5049674. J Chem Phys. 2019. PMID: 30709250

5

Scaled and Dynamic Optimizations of Nudged Elastic Bands.

Lindgren P, Kastlunger G, Peterson AA. Lindgren P, et al. Among authors: peterson aa. J Chem Theory Comput. 2019 Nov 12;15(11):5787-5793. doi: 10.1021/acs.jctc.9b00633. Epub 2019 Oct 10. J Chem Theory Comput. 2019. PMID: 31600078

6

On the Coupling of Electron Transfer to Proton Transfer at Electrified Interfaces.

Ge A, Kastlunger G, Meng J, Lindgren P, Song J, Liu Q, Zaslavsky A, Lian T, Peterson AA. Ge A, et al. Among authors: peterson aa. J Am Chem Soc. 2020 Jul 8;142(27):11829-11834. doi: 10.1021/jacs.0c03472. Epub 2020 Jun 23. J Am Chem Soc. 2020. PMID: 32574495

7

A nearsighted force-training approach to systematically generate training data for the machine learning of large atomic structures.

Zeng C, Chen X, Peterson AA. Zeng C, et al. Among authors: peterson aa. J Chem Phys. 2022 Feb 14;156(6):064104. doi: 10.1063/5.0079314. J Chem Phys. 2022. PMID: 35168344

8

Electrochemistry from the atomic scale, in the electronically grand-canonical ensemble.

Lindgren P, Kastlunger G, Peterson AA. Lindgren P, et al. Among authors: peterson aa. J Chem Phys. 2022 Nov 14;157(18):180902. doi: 10.1063/5.0123656. J Chem Phys. 2022. PMID: 36379805

9

Fundamental Drivers of Electrochemical Barriers.

Chen X, Kastlunger G, Peterson AA. Chen X, et al. Among authors: peterson aa. Phys Rev Lett. 2023 Dec 8;131(23):238003. doi: 10.1103/PhysRevLett.131.238003. Phys Rev Lett. 2023. PMID: 38134804

10

On the Thermodynamic Equivalence of Grand Canonical, Infinite-Size, and Capacitor-Based Models in First-Principle Electrochemistry.

Kastlunger G, Vijay S, Chen X, Sharma S, Peterson A. Kastlunger G, et al. Among authors: peterson a. Chemphyschem. 2024 Mar 21:e202300950. doi: 10.1002/cphc.202300950. Online ahead of print. Chemphyschem. 2024. PMID: 38511569 Review.

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