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Up Directory CCL 24.03.07 PhD position in Computational Chemistry at Heyrovsky Institute of the Czech Academy of Sciences
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Date: Thu Mar 7 07:22:15 2024
Subject: 24.03.07 PhD position in Computational Chemistry at Heyrovsky Institute of the Czech Academy of Sciences
PhD program 

We are offering a PhD position in an original and innovative theoretical project titled:
Theoretical exploration of the principles enabling the control of chemical selectivity:
Concerted proton-electron transfers and beyond.

Starting from: the fall semester (Oct 1st) 2024

PhD research performed at:

J. Heyrovsk Institute of Physical Chemistry of the Czech Academy of Sciences in Prague


RNDr. Martin Srnec, Ph.D.    martin.srnec,  (


All of the computational and theoretical effort will aim at understanding an interplay of various physico-chemical factors 
affecting concerted electron-proton transfers (CEPTs) and beyond, with the ambition to extend significantly our ability 
to make reactions more selective. This is a crucial prerequisite for more environmentally friendly, material and energy saving chemistry. 
Particularly, selective activation of aliphatic CH bonds represents a real challenge for the current synthetic chemistry 
searching for routes with fewer and more productive steps. From this perspective, the research on biomimetics of metalloenzymes 
and related synthetic/artificial systems with the CEPT process placed in the center of their catalytic function provide insightful 
and quantitative guidelines for rational design of new effective catalysts. To this end, we will use an arsenal of quantum chemical methods 
and analyses as well as traditional and non-traditional chemical concepts. 
In general, the PhD candidate will also contribute to the development of concepts in the field of chemical reactivity, 
which is the main focus of Srnec's group.

Requirements: The applicant should have knowledge corresponding to a master degree in (physical) chemistry or (chemical) physics. 
Background in quantum chemistry/computational chemistry is very beneficial. 
An excellent knowledge of at least one programming/scripting language is also beneficial. 
Some background in organic/inorganic chemistry is also welcome. 
The candidate should be enthusiastic about learning new things in quantum/computational chemistry 
and its application to the broad area of organic, inorganic and bioinorganic chemistry.


	competitive position to pursue further academic or industrial career in computational chemistry. 

	advanced training in application of methods of computational chemistry and in development of new scientific concepts.

	collaborative project; work in smaller research group with intensive internal communication 

	attendance of international conferences on topics related to the project along with other relevant scientific events

Deadline for application for PhD study at Charles University. The PhD student will conduct his/her research at the Heyrovsky Institute, but will be registered/enrolled 
at Charles University in Prague.

Deadline for application for PhD study at Charles University (only after selection by Martin Srnec) 

April 30th 2024

Submission to Martin Srnec: 

Contact Martin Srnec - martin.srnec,

Deadline for application submitted to Martin Srnec: 

April 5th 2024.

Necessary documents for the application: 


	cover letter

	Optionally, you can provide at most three letters of recommendation by your former advisors or senior collaborators.
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