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Date: Tue Feb 21 12:20:16 2023
Subject: 23.02.21 ERC funded postdoc & PhD positions: development of predictive and affordable quantum chemistry methods, Budapest
Multiple, at least 1-year (up to 5-year) postdoc & PhD positions 
are available in the Molecular Quantum Simulation Group within 
the ERC project aCCuracy for the development and application 
of quantum chemistry and machine learning methods to model 
molecular interactions and catalysis in complex chemical systems. 

Improving the accuracy, efficiency, and functionality of our 
cutting-edge reduced-cost/-scaling quantum chemistry 
[perturbation theory (PT), coupled cluster (CC), DFT, multi-level] 
models of our group. 
Our open access programs in the MRCC program package ( 
already enable uniquely reliable simulations of large and challenging 
molecules, which will be utilized for (bio)chemical and materials 
applications, where workhorse methods have difficulties. 

We offer:	 
- research at the forefront of atomistic modeling working with 
a great developer team & collaborators
- frequent consultations and support to develop your research goals 
- outstanding salary (including benefits) determined on the bases of experience
- full time, at least 1-year, up to 5-year position, 
flexible hours, possible partial home office

Your qualifications: 
- MSc or PhD, respectively, in theoretical chemistry, computational chemistry, 
quantum chemistry, molecular physics, atomistic modeling or related
- research experience in electronic structure OR related numerical simulations
- ideally method development/programming expertise with CC/PT/DFT 
or extensive experience with machine learning force field dynamics
- ideally scientific programming experience (FORTRAN/C, scripting, and HPC)	
- strong publication record and good English skills, 
which is the working language

Details of the available development (D) and/or application (A) projects:	
D1) improved accuracy and speed via better maths and physics based 
approximation ideas and high-performance software design
D2) accurate and efficient thermodynamic, spectroscopic, and dynamic 
observable properties via DFT, local CCSD(T), & machine learning models
D3) multilevel/embedding models for biochemical, crystal, & solvent environments
D4) extensions of these DFT, PT & CC methods to open-shell & multireference systems

A1) complicated interactions between large molecules governing, e.g., 
supramolecular and catalyst-substrate interactions
A2) mechanisms in environment-friendly & selective 
organo- and transition-metal catalysis
A3) surface and enzyme catalysis, and protein-drug interactions
Please, send to Peter Nagy via nagy.peter 'at' in a single pdf/doc 
file with subject line "researcher position application" the following:	
- cover letter describing your research experience, strengths/weaknesses 
in the above qualifications, preferred start date 
(positions are available immediately or later upon mutual agreement)	
- current CV, publication list, scientific indicators (online profile)	
- contact detail of at least 2 researchers who can be asked 
to send a letter of recommendation

The evaluation of candidates is started and will be open at least 
until Marc 15, 2023 or later until the positions are filled.	
For additional details and updates see: 
http:/ or feel free to write to Peter.
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Modified: Tue Feb 21 17:20:16 2023 GMT
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