We would like to announce the post-doc position opening at Wrocław University of Science and Technology, Faculty of Chemistry, within the project "Multiscale Modeling for Photo- and Elctrochemical interfaces". The project is co-financed by National Centre of Science, M-ERANET.2 programme. The project is focused on an innovative, multi-scale modeling and simulation approach in order to investigate photo-electrochemical (PEC) interfaces. This will pave the way towards targeted design and fabrication of PEC interfaces with advanced properties and performance. It is the first time that four levels of theory from atomistic to continuum level are combined for PEC interfaces and that electrochemical data will be simulated that can be directly compared to experimental data. The research will be carried out in the international consortium (Poland, Spain, The Netherlands).

Tasks:
Atomistic simulations of the static solid-liquid interface
Setting up a model of the surface with the co-catalyst
Determination of size and stability of the cluster at the solid-liquid interface
Ab-initio Molecular Dynamics simulations of solid surface with co-catalysts
Molecular simulations of the dynamic solid-liquid interface
Calculate the characteristic parameters for the surface/co-catalyst system such as free energy, activation barriers and overpotential.

Requirements:
Education: PhD in computational chemistry or related field.
Languages: Due to international character of the project, fluency in written and spoken English is required.

The investigators are expected to have good background and previous experience in:
static DFT calculations
first principles / classical Molecular Dynamics simulations, experience of metadynamics would be considered an advantage
experience in using the VASP code - optimizations, vibration analysis, ZPE corrections, molecular dynamics
ability to use Linux environment - bash scripting, queueing systems, basics of python programming
experience in CASSCF method would be considered an advantage
experience in simulations of the systems with explicit solvent would be considered an advantage
Good communication skills. Experience in working in a team. Being dedicated to the project. Applicant should be open minded for new projects and challenges.

Salary: 85000 PLN / year (gross)
Starting date: ASAP

Wrocław commonly known by its German and English name Breslau before 1945, is the largest city and capital of Lower Silesian Voivodeship, Poland. Wrocław is also the historic capital of Silesia. With a population close to 630,000 and a metropolitan figure well over a million, Wrocław is the fourth largest city in Poland, and is among one of the major manufacturing, banking, industrial, tourist and cultural centers. Thanks to hosting events such as the Euro 2012 Championship and the 2016 European Capital of Culture, Wrocław is gaining a larger European and international profile, drawing in a growing amount of tourists for its historic city center, picturesque bridges and islands, and the city's relaxed liberal culture. The city is also known for its high quality of life.

Required documents:
motivation letter directed to the Principal Investigator of the project,
scientific CV,
a copy of the PhD diploma,
short description of research together with a list of publications,
recommendation letter
visa for legal stay in Poland (if necessary)