Mikael Leetmaa

General principles for designing supported catalysts for hydrogen evolution reaction based on conceptual Kinetic Monte Carlo modeling

Pasti, Igor A.; Leetmaa, Mikael; Skorodumova, Natalia V.

Part of International journal of hydrogen energy, p. 2526-2538, 2016

• DOI for General principles for designing supported catalysts for hydrogen evolution reaction based on conceptual Kinetic Monte Carlo modeling

Statistical error in simulations of Poisson processes: Example of diffusion in solids

Nilsson, Johan O.; Leetmaa, Mikael; Vekilova, Olga Yu.; Simak, Sergei I. et al.

Part of Physical Review B, 2016

• DOI for Statistical error in simulations of Poisson processes: Example of diffusion in solids

Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations

Leetmaa, Mikael; Skorodumova, Natalia V.

Part of Computer Physics Communications, p. 119-124, 2015

• DOI for Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations

KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations

Leetmaa, Mikael; Skorodumova, Natalia V.

Part of Computer Physics Communications, p. 611-613, 2015

• DOI for KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations

Temporal Coarse Graining of CO2 and N-2 Diffusion in Zeolite NaKA: From the Quantum Scale to the Macroscopic

Mace, Amber; Leetmaa, Mikael; Laaksonen, Aatto

Part of Journal of Chemical Theory and Computation, p. 4850-4860, 2015

• DOI for Temporal Coarse Graining of CO2 and N-2 Diffusion in Zeolite NaKA: From the Quantum Scale to the Macroscopic

General principles for designing supported catalysts for hydrogen evolution reaction based on conceptual Kinetic Monte Carlo modeling

Pasti, Igor A.; Leetmaa, Mikael; Skorodumova, Natalia V.

Part of International journal of hydrogen energy, p. 2526-2538, 2016

• DOI for General principles for designing supported catalysts for hydrogen evolution reaction based on conceptual Kinetic Monte Carlo modeling

Statistical error in simulations of Poisson processes: Example of diffusion in solids

Nilsson, Johan O.; Leetmaa, Mikael; Vekilova, Olga Yu.; Simak, Sergei I. et al.

Part of Physical Review B, 2016

• DOI for Statistical error in simulations of Poisson processes: Example of diffusion in solids

Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations

Leetmaa, Mikael; Skorodumova, Natalia V.

Part of Computer Physics Communications, p. 119-124, 2015

• DOI for Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations

KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations

Leetmaa, Mikael; Skorodumova, Natalia V.

Part of Computer Physics Communications, p. 611-613, 2015

• DOI for KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations

Temporal Coarse Graining of CO2 and N-2 Diffusion in Zeolite NaKA: From the Quantum Scale to the Macroscopic

Mace, Amber; Leetmaa, Mikael; Laaksonen, Aatto

Part of Journal of Chemical Theory and Computation, p. 4850-4860, 2015

• DOI for Temporal Coarse Graining of CO2 and N-2 Diffusion in Zeolite NaKA: From the Quantum Scale to the Macroscopic