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Mikael Leetmaa
Mikael Leetmaa
Adresse e-mail validée de kth.se
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The inhomogeneous structure of water at ambient conditions
C Huang, KT Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, ...
Proceedings of the National Academy of Sciences 106 (36), 15214-15218, 2009
7312009
Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice
M Leetmaa, MP Ljungberg, A Lyubartsev, A Nilsson, LGM Pettersson
Journal of Electron Spectroscopy and Related Phenomena 177 (2-3), 135-157, 2010
1912010
Diffraction and IR/Raman data do not prove tetrahedral water
M Leetmaa, KT Wikfeldt, MP Ljungberg, M Odelius, J Swenson, A Nilsson, ...
The Journal of chemical physics 129 (8), 2008
1202008
KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations
M Leetmaa, NV Skorodumova
Computer Physics Communications 185 (9), 2340-2349, 2014
1112014
On the range of water structure models compatible with X-ray and neutron diffraction data
KT Wikfeldt, M Leetmaa, MP Ljungberg, A Nilsson, LGM Pettersson
The Journal of Physical Chemistry B 113 (18), 6246-6255, 2009
1052009
StoBe-DeMon, version 3.0
K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ...
STOBE software, 2002
932002
Are recent water models obtained by fitting diffraction data consistent with infrared/Raman and x-ray absorption spectra?
M Leetmaa, M Ljungberg, H Ogasawara, M Odelius, LÅ Näslund, ...
The Journal of chemical physics 125 (24), 2006
862006
Improved catalysts for hydrogen evolution reaction in alkaline solutions through the electrochemical formation of nickel-reduced graphene oxide interface
SJ Gutić, AS Dobrota, M Leetmaa, NV Skorodumova, SV Mentus, IA Pašti
Physical Chemistry Chemical Physics 19 (20), 13281-13293, 2017
582017
Oxygen-oxygen correlations in liquid water: Addressing the discrepancy between diffraction and extended x-ray absorption fine-structure using a novel multiple-data set fitting …
KT Wikfeldt, M Leetmaa, A Mace, A Nilsson, LGM Pettersson
The Journal of chemical physics 132 (10), 2010
482010
Reply to Soper et al.: Fluctuations in water around a bimodal distribution of local hydrogen-bonded structural motifs
C Huang, KT Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, ...
Proceedings of the National Academy of Sciences 107 (12), E45-E45, 2010
462010
StoBe-deMon
K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ...
DEMON Software, Stockholm, Berlin, 2005
372005
Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations
M Leetmaa, NV Skorodumova
Computer Physics Communications 191, 119-124, 2015
262015
KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations
M Leetmaa, NV Skorodumova
Computer Physics Communications 196, 611-613, 2015
222015
SpecSwap-RMC: a novel reverse Monte Carlo approach using a discrete set of local configurations and pre-computed properties
M Leetmaa, KT Wikfeldt, LGM Pettersson
Journal of Physics: Condensed Matter 22 (13), 135001, 2010
222010
Oxygen diffusion in ceria doped with rare-earth elements
JO Nilsson, M Leetmaa, OY Vekilova, SI Simak, NV Skorodumova
Physical Chemistry Chemical Physics 19 (21), 13723-13730, 2017
202017
General principles for designing supported catalysts for hydrogen evolution reaction based on conceptual Kinetic Monte Carlo modeling
IA Pašti, M Leetmaa, NV Skorodumova
International Journal of Hydrogen Energy 41 (4), 2526-2538, 2016
192016
StoBe-deMon version 3.1. 2011
K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ...
Contributing authors.[Google Scholar], 0
13
StoBe-deMon version 3.0, 2007
K Hermann, LGM Pettersson, ME Casida, C Dual, A Goursot, A Koester, ...
Google Scholar There is no corresponding record for this reference, 2008
122008
Temporal Coarse Graining of CO2 and N2 Diffusion in Zeolite NaKA: From the Quantum Scale to the Macroscopic
A Mace, M Leetmaa, A Laaksonen
Journal of chemical theory and computation 11 (10), 4850-4860, 2015
92015
X‐Ray Spectroscopy Calculations within Kohn–Sham DFT: Theory and Applications
M Leetmaa, M Ljungberg, A Nilsson, LGM Pettersson
Computational Methods in Catalysis and Materials Science: An Introduction …, 2009
8*2009
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