Pukhovsky Yurij P.

Deputy director
Phd in chemistry
Academic title: 
Senior Researcher
+7 (4932) 336259


Yurij P.Pukhovsky works in ISC since 1986 года. In 1989 he has successfully completed post-graduate courses, in 1990 he has defended the thesis. Since 1989 года he has been junior researcher, since 1990 he has become a researcher. In 1995 he is assessed as he a senior researcher. His scientific experience is 14 years. In 1997 Yurij P.Pukhovsky is awarded the Senior Researcher qualification. The scientific activities of Yurij P.Pukhovsky are dealing with “Investigation of ions solvation spheres structure and dynamics in the mixed solvents via computer simulation”. He successfully employs all modern techniques of computer chemistry, i.e. molecular dynamics, molecular-mechanical, semi-emperical and quantum-chemical calculations. His works on the computer simulation of electrolytes in mixed solvents and theoretical investigations of preferential solvation and ion dynamics in solutions are in foreground of application of computer modeling to the investigation of liquid mixtures. The results of his research work are published in the leading scientific journals on the solutions physical chemistry and have been repeatedly presented on All-Union and international conferences, where Pukhovsky took part as an invitee. 


His research activities were supported by International Scientific Fund, European Fund and Russian Fund of Fundamental Investigations. In 1993 Pukhovskij was honoured with Lisa Maitner international grant on the work in the University of Insbruk (Austria). 


Pukhovskij is one of the authors of program package for the calculation of structure and dynamic characteristics of multicomponent liquid mixtures on the basis of molecular dynamics. The programs have been employed in the number of Russian and foreign scientific institutions for the last 12 years.


Pukhovskij has elaborated a technique and a program package for obtaining new potentials of intermolecular interactions on the basis of quantum-chemical calculations. This technique is successfully employed not only in ISC RAS, but also in some foreign institutes.

The most important publications:



The list of the basic publications (2001-2004):


  1. Киселев М. Г., Пуховский Ю. П., Альпер Г. А. Проявление сольвофобных эффектов на молекулярном уровне в ассоциированных растворах неэлектролитов // В кн. Проблемы химии растворов и технологии жидкофазных материалов / под ред. А.М. Кутепова, Иваново, 2001. – С. 170-181.
  2. Krishtal S., Kiselev M., Puhovski P., Kerdcharoen T., Hannongbua S., Heizinger K. Study of the hydrogen bond network in sub- and supercritical water by molecular dynamics simulations // Z. Naturforsch. – 2001. – Vol. 56a. – P. 579-584.
  3. Kiselev M., Noskov S., Puhovski Y., Kerdcharoen T., Hannongbua S. The study of hydrophobic hydration in supercritical water-methanol mixtures // J. Mol. Graph. Modelling. - 2001. - Vol. 19, N. 3. -P. 412-416.  
  4. Кумеева Т. Ю., Пуховский Ю. П., Киселев М. Г. Применение сверхкритического диоксида углерода в текстильной промышленности // Российский химический журнал (журнал РХО).- 2002. - Т. XLVI, №1. - С. 116-120.  
  5. Puhovski Yu.P., Safonova L.P., Rode D.M. Molecular dynamic simulations of a liquid formamide and N,N-dimethylformamide with ne quantum mechanical potential. J. Mol.Liquids, 2003, Vol.103-104, Pp.15-31.
  6. Kiselev M., Ivlev D., Puhovski Yu., Kerdcharoen T. Preferential solvation and elasticity of the hydrogen bonds network in tertiary butyl alcohol-water mixture. Chem.Phys.Lett., 2003, Vol.379,Issues 5-6, Pp. 581-587.
  7. Пуховский Ю.П., Киселев М.Г. Взаимосвязь коллективных эффектов со структурными и термодинамическими свойствами воды при нормальных и сверхкритических параметрах состояния.  В кн. Вода: структура, состояние. сольватация. достижения последних лет./ [ Ю.М. Кеслер, В.Е. Петренко, А.К. Лященко и др.] Отв. ред. А.М. Кутепов.-М.:Наука, 2003.-404 с.М.Г.
  8. Киселев, Ю.П. Пуховский, Д.В. Ивлев, М.Н. Родникова. Модуль сдвига сетки водородных связей воды и водного раствора трет-бутанола по методу молекулярной динамики // Журн. Физ. Химии.  2004, т. 78, вып.12.  с. 1972-1975.