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Browsing by Author "Alisheva D."

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Gramm-software package for molecular dynamics on graphical processing units

Tarasov D.; Izotova E.; Alisheva D.; Akberova N. (2010)

© 2010, Pleiades Publishing, Ltd. This work describes the software package and algorithms for molecular dynamics using NVIDEA GPU G80, G84, and G92. All potentials needed for MM2 and AMBER force fields are implemented and ...
Optimal approach trajectories for a hydrogen donation tool in positionally controlled diamond mechanosynthesis

Tarasov D.; Izotova E.; Alisheva D.; Akberova N.; Freitas R. (2013)

The use of precisely applied mechanical forces to induce site-specific chemical transformations is called positional mechanosynthesis, and diamond is an important early target for achieving mechanosynthesis experimentally. ...
Optimal tooltip trajectories in a hydrogen abstraction tool recharge reaction sequence for positionally controlled diamond mechanosynthesis

Tarasov D.; Akberova N.; Izotova E.; Alisheva D.; Astafiev M.; Freitas R. (2010)

The use of precisely applied mechanical forces to induce site-specific chemical transformations is called positional mechanosynthesis, and diamond is an important early target for achieving mechanosynthesis experimentally. ...
Structural stability of clean and passivated nanodiamonds having ledge, step, or corner features

Tarasov D.; Izotova E.; Alisheva D.; Akberova N.; Freitas R. (2012)

The use of precisely applied mechanical forces to induce site-specific chemical transformations is called positional mechanosynthesis, and diamond is an important early target for achieving mechanosynthesis experimentally. ...
Structural stability of clean, passivated, and partially dehydrogenated cuboid and octahedral nanodiamonds up to 2 nanometers in size

Tarasov D.; Izotova E.; Alisheva D.; Akberova N.; Freitas R. (2011)

The use of precisely applied mechanical forces to induce site-specific chemical transformations is called positional mechanosynthesis, and diamond is an important early target for achieving mechanosynthesis experimentally. ...

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Browsing by Author "Alisheva D."

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