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Kersti Hermansson

Kersti Hermansson

D-Index & Metrics

Chemistry

D-Index
61
Citations
11920
World Ranking
9339
National Ranking
131

Overview

Kersti Hermansson is affiliated with Uppsala University in Sweden. Their research focuses primarily on Materials Science with a strong emphasis on Materials Chemistry.

Their work spans several subfields including Atomic and Molecular Physics, and Optics; Renewable Energy, Sustainability and the Environment; Electrical and Electronic Engineering; and Biomedical Engineering.

Key research topics covered by Hermansson include:

  • Machine Learning in Materials Science
  • Spectroscopy and Quantum Chemical Studies
  • Catalytic Processes in Materials Science
  • Advanced Photocatalysis Techniques
  • Electrocatalysts for Energy Conversion
  • MXene and MAX Phase Materials
  • Catalysis and Oxidation Reactions

Frequent venues for Hermansson's publications are:

  • The Journal of Chemical Physics
  • arXiv (Cornell University)
  • Batteries & Supercaps
  • Advanced Energy Materials
  • Machine Learning Science and Technology

The scientist has collaborated repeatedly with several coauthors including Lorenzo Agosta, Arghya Bhowmik, Mikhail Dzugutov, Jolla Kullgren, and Daniel J. Arismendi-Arrieta.

Notable recent papers authored or coauthored by Hermansson include:

  • "A foundation model for atomistic materials chemistry," 2023, published in arXiv (Cornell University)
  • "A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030+," 2022, published in Advanced Energy Materials
  • "Modelling Bulk Electrolytes and Electrolyte Interfaces with Atomistic Machine Learning," 2020, published in Batteries & Supercaps
  • "Implications of the BATTERY 2030+ AI-Assisted Toolkit on Future Low-TRL Battery Discoveries and Chemistries," 2021, published in Advanced Energy Materials
  • "Tuning the ORR activity of Pt-based Ti2CO2 MXenes by varying the atomic cluster size and doping with metals," 2020, published in Nanoscale

Best Publications

  • Blue-shifting hydrogen bonds.

    Kersti Hermansson

  • Tuning LDA+U for electron localization and structure at oxygen vacancies in ceria

    Christopher Castleton;Jolla Kullgren;Kersti Hermansson

  • Surface properties of CeO 2 from first principles

    N. V. Skorodumova;M. Baudin;Kersti Hermansson

  • Hydration of the calcium ion. An EXAFS, large-angle x-ray scattering, and molecular dynamics simulation study.

    Farideh Jalilehvand;Daniel Spångberg;Patric Lindqvist-Reis;Kersti Hermansson

  • Atomic and electronic structure of unreduced and reduced CeO2 surfaces: A first-principles study

    Zongxian Yang;Tom K. Woo;Micael Baudin;Kersti Hermansson

  • Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases

    Adri C. T. van Duin;Vyacheslav S. Bryantsev;Mamadou S. Diallo;William A. Goddard

  • A reactive force field (ReaxFF) for zinc oxide

    David Raymand;Adri C.T. van Duin;Micael Baudin;Kersti Hermansson

  • Effects of Zr doping on stoichiometric and reduced ceria: A first-principles study

    Zongxian Yang;Tom K. Woo;Kersti Hermansson

  • Contact ion pair formation and ether oxygen coordination in the polymer electrolytes M[N(CF3SO2)2]2PEOn for M = Mg, Ca, Sr and Ba

    Albert Bakker;Shridhar Gejji;Jan Lindgren;Kersti Hermansson

  • AB-INITIO STUDY OF COOPERATIVITY IN WATER CHAINS - BINDING-ENERGIES AND ANHARMONIC FREQUENCIES

    Lars Ojamae;Kersti Hermansson

  • Water adsorption on stepped ZnO surfaces from MD simulation

    David Raymand;Adri C. T. van Duin;Daniel Spångberg;William A. Goddard

  • Dynamics, structure and energetics of the (111), (011) and (001) surfaces of ceria

    Micael Baudin;Mark Wójcik;Kersti Hermansson

  • On the nature of blueshifting hydrogen bonds: Ab initio and density functional studies of several fluoroform complexes

    Ljupčo Pejov;Kersti Hermansson

  • Oxygen vacancy formation energy in Pd-doped ceria: a DFT+U study.

    Zongxian Yang;Gaixia Luo;Zhansheng Lu;Kersti Hermansson

  • Representation of Intermolecular Potential Functions by Neural Networks

    Helmut Gassner;Michael Probst;and Albert Lauenstein;Kersti Hermansson

  • Strong and weak adsorption of CO on CeO2 surfaces from first principles calculations

    Zongxian Yang;Tom K. Woo;Kersti Hermansson

  • Physisorbed, Chemisorbed, and Oxidized CO on Highly Active Cu−CeO2(111)

    Zongxian Yang;Bingling He;Zhansheng Lu;Kersti Hermansson

  • Many-body potentials for aqueous Li+, Na+, Mg2+, and Al3+: Comparison of effective three-body potentials and polarizable models

    Daniel Spångberg;Kersti Hermansson

  • Electric‐field effects on the OH vibrational frequency and infrared absorption intensity for water

    Kersti Hermansson

  • THE OH VIBRATIONAL-SPECTRUM OF LIQUID WATER FROM COMBINED ABINITIO AND MONTE-CARLO CALCULATIONS

    Kersti Hermansson;Sören Knuts;Jan Lindgren

  • Surface properties of CeO2 from first principles

    N Skorodumova;Micael Baudin;Kersti Hermansson

Frequent Co-Authors

Jan Lindgren
Jan Lindgren Uppsala University
Lars Ojamäe
Lars Ojamäe Linköping University
Zhansheng Lu
Zhansheng Lu Henan Normal University
Eugene A. Kotomin
Eugene A. Kotomin University of Latvia
Tom K. Woo
Tom K. Woo University of Ottawa
Adri C. T. van Duin
Adri C. T. van Duin Pennsylvania State University
Jumras Limtrakul
Jumras Limtrakul Vidyasirimedhi Institute of Science and Technology
Ingmar Persson
Ingmar Persson Swedish University of Agricultural Sciences
Hans Ågren
Hans Ågren Uppsala University
Yi Luo
Yi Luo University of Science and Technology of China

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