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.

Ingår i International journal of hydrogen energy, s. 2526-2538, 2016

• DOI för 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.

Ingår i Physical Review B, 2016

• DOI för 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.

Ingår i Computer Physics Communications, s. 119-124, 2015

• DOI för 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.

Ingår i Computer Physics Communications, s. 611-613, 2015

• DOI för 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

Ingår i Journal of Chemical Theory and Computation, s. 4850-4860, 2015

• DOI för 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.

Ingår i International journal of hydrogen energy, s. 2526-2538, 2016

• DOI för 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.

Ingår i Physical Review B, 2016

• DOI för 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.

Ingår i Computer Physics Communications, s. 119-124, 2015

• DOI för 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.

Ingår i Computer Physics Communications, s. 611-613, 2015

• DOI för 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

Ingår i Journal of Chemical Theory and Computation, s. 4850-4860, 2015

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