A postdoc position is available in the Martin Srnec
computational chemistry lab at J. Heyrovsky Institute of Physical Chemistry of the Czech Academy of Sciences in Prague, Czech Republic. 

The start date is flexible and can be immediate.

We are offering a full-time postdoctoral position in an original and innovative theoretical project titled:

Energy coupling in proton-coupled electron transfer and related reactions

Topic:

Coupling of spontaneous and nonspontaneous reactions drives metabolic pathways in cells, 
and one such type of coupling has only relatively recently been described in some protein complexes. 
This is called electron bifurcation, where an electron is pumped into an energetically disadvantageous pathway by another electron that takes an energetically advantageous pathway. 
The mechanism of electron bifurcation remains unresolved, although various models exist.
The postdoctoral fellow will use an arsenal of electronic structure calculations on the structural (modular) organic and inorganic models, 
focusing in particular on proton-coupled electron transfers and electron bifurcations to see if they open the way to the design of artificial systems capable of energy coupling. 
To this aim, the postdoc will also contribute to the development of concepts in the field of chemical reactivity 
 namely to the development of the concept of off-diagonal thermodynamics and its effect on reactivity, which is the main focus of Srnec's group.

Requirements: 
	PhD in theoretical/computational chemistry
	The applicant must be experienced with the quantum/computational chemistry and its application to a broad organic, inorganic and bio-inorganic space of chemistry. 
	The experience with the QM/MM modeling, the (ab initio) MD simulations, and an excellent knowledge of at least one programming/scripting language is highly beneficial. 
	Some background in organic/inorganic chemistry is also welcome. 
	Finally, the postdoctoral fellow is expected to have a creative and collaborative spirit who is not afraid of experimenting with computational chemistry and formulating and testing various hypotheses. 
	If you are not convinced whether you meet all the requirements, you are still encouraged to apply as long as your expertise generally matches this project and as long as you are willing to learn.

Benefits: 
	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

Eligibility criteria:
To apply, please send your CV, cover letter and publication record in peer reviewed journals to martin.srnec(_)jh-inst.cas.cz 
Please include SC2024_06 in the subject line of your email.
If applying for the first postdoctoral position after PhD, submit a reference to your PhD thesis (if available online).
Optionally, you can provide at most three letters of recommendation by your former advisors or senior collaborators.