About

Hi! I am a Postdoctoral Researcher at the University of Valencia in Spain. Current research interests include the theoretical description of supramolecular assemblies using quantum and classical methods. I have a wide range of interests. Here are a few examples:

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  I do computer simulations such as Molecular Dynamics, Monte Carlo, Self-Consistent Field, ab initio simulations, and hybrids, creating fancy pictures.



Here are some information about projects to share:



• Project

  I am developing an interactive simulation package. It helps to get familiar with computer simulations. It based on ESPResSo package. Stack: Python, PyQt framework.


• 

  I am working on open source project. My task was implementing an separate engine (Cleng=Clamped Engine) based on established solver. In particular, it offers an alternative method for simulating polymers by using probabilities instead of Newton's laws of motion.


• 

  All my Molecular Dynamics simulations were performed using this package.



Here are some information about languages that I am using:



• 

  This is my primary language that I use. I have completed several projects with it. Here are a few examples: Storer, Maxwell Construction, Plotter, ...


• 

  I implemented a water model SPC/E from computational chemistry using this fancy language.


• 

  Quite a bit on kinematics on robotics (private code).


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  I am interested in embedded development. Here are small pet IoT project one and pet project two.


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  I wrote something simple for fun. Currently, I am in search of something worth implementing... Do you have an idea? :)

Personal qualities

Perseverance, ambition, curiosity, diligence, outgoing person.

Publications

[2017] Alexey A. Polotsky, Alexander D. Kazakov, Tatiana M. Birshtein. Linear minority chain in a star brush: The coil-to-flower transition. Polymer.

[2019] Alexander D. Kazakov, Alexey A. Polotsky, Ekaterina B. Zhulina, Tatiana M. Birshtein, Frans A. M. Leermakers, and Oleg V. Borisov. Dendron Brushes in Polymer Medium: Interpenetration and Depletion. Macromolecules.

[2021] Alexander D. Kazakov, Varvara M. Prokacheva, Filip Uhlík, and Frans A. M. Leermakers. Computer modeling of polymer stars in variable solvent conditions: a comparison of MD simulations, self-consistent field (SCF) modeling and novel hybrid Monte Carlo SCF approach.

[2022] Oleg V. Rud, Alexander D. Kazakov, Lucie Nová, Filip Uhlík. Polyelectrolyte Hydrogels as Draw Agents for Desalination of Solutions with Multivalent Ions.

[...] Something interesting ;)

Information

Personal achievements:

Research interests:

Fancy pictures:

Polymer chain. The idea of the hybrid CG-MF model: coarse-grained (CG) model and the Mean-Field (MF) model. Explicit segments are only at the end of the polymer chain. The rest segments are implicit.

Water molecules in CPK representation.

Schematic representation of buckminsterfullerene C60.