Since 2004, he has been the head of the Senior Research Group at the Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences.

He has also been a professor in the Faculty of Mathematics and Physics at Charles University since 2000.

[1][2] He has also been a senior editor of the Journal of Physical Chemistry since 2009.

[2] He is popularly known for studying the explosive reaction between alkali metals, such as sodium and potassium, and water; his research on this subject indicates that these reactions result from a Coulomb explosion.

[4] Pavel Jungwirth is a coordinator of an international science competition Dream Chemistry Award.