Alexey Akimov

CIF2QE file conversion using Libra and Atomsk

CIF2QE file conversion using Libra and Atomsk

Reading XML files using Libra

Reading XML files using Libra

Libra ACF FT tutorial

Libra ACF FT tutorial

Libra time correlated random numbers

Libra time correlated random numbers

Libra install again

Libra install again

Libra mathematics (Linear algebra) tutorial

Libra mathematics (Linear algebra) tutorial

Libra mixing force fields

Libra mixing force fields

Libra installation tutorial

Libra installation tutorial

Au case1

Au case4

Au case3

Au case2

SubPc C60 case3

SubPc C60 case3

SubPc C60 case2

SubPc C60 case2

SubPc C60 case1

SubPc C60 case1

iQmol Tutorial: BODYPI dyad building

iQmol Tutorial: BODYPI dyad building

Wavepacket propagation. Case 4.

Wavepacket propagation. Case 4.

Simulation of photoisomerization of cis-azobenzene in the presence of thermostat

Simulation of photoisomerization of cis-azobenzene in the presence of thermostat

Simulation of photoisomerization of cis-azobenzene

Simulation of photoisomerization of cis-azobenzene

Wavepacket propagation. Case 3

Wavepacket propagation. Case 3

Wavepacket propagation. Case 2

Wavepacket propagation. Case 2

Wavepacket propagation. Case 1

Wavepacket propagation. Case 1