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Position: Postdoc in Ultrafast X-ray Studies of Solvation Dynamics - SIMULATIONS
Institution: Technical University of Denmark
Location: Kongens Lyngby, Lyngby‐Taarbæk Municipality, Denmark
Duties: As one of two senior Postdocs on this project, you will be in charge of consolidating and developing a robust and versatile framework for simulations of solvation processes including calculating experimental observables (X-ray scattering and spectroscopy) from ab-initio methods, QM/MM- and MM-MD. You will be in charge of choosing the right set of methods, benchmarking them against acquired data and developing new methods (e.g. adaptive QM/MM, Polarizable QM/MM, or Tight-Binding DFT for solvation) which go beyond current state-of-the-art
Requirements: As the right candidate for this position, you will have several years of post-doctoral experience working with computer simulations of molecular structures and dynamics in condensed media. We are looking for highly skilled and extremely motivated persons who are energized by working in close collaboration with people from different scientific backgrounds and who can contribute strongly to team efforts
   
Text: Postdoc in Ultrafast X-ray Studies of Solvation Dynamics - SIMULATIONS DTU Physics Share on Facebook Share on Twitter Share on Linkedin Monday 16 Nov 20 Apply for this job Apply no later than 11 December 2020 Apply for the job at DTU Physics by completing the following form. Apply online We are now advertising the first four positions within our new project “Aqueous solvation - understanding water as a solvent and reaction partner via ultrafast X-ray experiments”, generously funded for six years by the Novo Nordisk Foundation’s “New and Exploratory Research and Discovery” program. Two of the four positions will be centered around ultrafast (femtoseconds to nanoseconds) X-ray experiments using synchrotrons and XFELs, with a focus on solvation dynamics involving simple ions (halogens) as well as transition metal and all-organic complexes. The other two positions are directed towards developing a powerful and versatile ab initio simulation toolbox capable of handling the many Degrees of Freedom involved in solvation. A key point for this project is a very strong link between the experimental and the theoretical/ simulation efforts and this part of the project is supported by one research engineer. Responsibilities and tasks As one of two senior Postdocs on this project, you will be in charge of consolidating and developing a robust and versatile framework for simulations of solvation processes including calculating experimental observables (X-ray scattering and spectroscopy) from ab-initio methods, QM/MM- and MM-MD. You will be in charge of choosing the right set of methods, benchmarking them against acquired data and developing new methods (e.g. adaptive QM/MM, Polarizable QM/MM, or Tight-Binding DFT for solvation) which go beyond current state-of-the-art. Together with our research engineer, you will develop this computational framework to a level where also non-experts can use the toolbox to calculate experimental observables from the simulations. The position is for up to 3 years with time allocated for accelerating your own scientific career through grant applications and conference participation as well as teaching and mentoring opportunities. The right candidate for the job will be highly self-motivated and is expected to actively partake in steering the overall project in the first years. Qualifications As the right candidate for this position, you will have several years of post-doctoral experience working with computer simulations of molecular structures and dynamics in condensed media. We are looking for highly skilled and extremely motivated persons who are energized by working in close collaboration with people from different scientific backgrounds and who can contribute strongly to team efforts. We offer This Postdoc position will offer you the opportunity to be a senior member of a research team where we aim to develop and utilize advanced experimental and simulation/computational techniques in the ultrafast time domain to obtain novel insights into the fundamental physics and chemistry underlying the phenomena involved in solvation. The position is for three years with time allocated for accelerating your own scientific career through grant applications and conference participation as well as teaching and mentoring opportunities. DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility. You can read more about career paths at DTU here . Salary and terms of employment This position is for three years and the place of work will be in the NEXMAP Section of the Physics Department at the DTU Lyngby campus, although with a significant amount of travel activities. The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The salary is internationally competitive and will be agreed upon with the relevant union. Application procedure Please submit your online application no later than 11 December 2020 (local time) . Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply online", fill out the online application form, and attach all your materials in English in one PDF file . The file must include: Application/cover letter -The cover letter ( <2 pages) must include a motivation and a short description of suggested research objectives and methods CV Diploma (PhD) List of publications A ll interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. Applications and enclosures received after the deadline will not be considered. Assessment The assessment of the applicants will be made by Senior Scientist Kristoffer Haldrup, Prof. Martin M. Nielsen, Res. Ass. Prof. Asmus Dohn and Prof. Klaus B. Møller. Further information Further information may be obtained from Senior Scientist Kristoffer Haldrup, hald@fysik.dtu.dk You can read more about the NEXMAP section at DTU Physics here . Our “Molecular Movies” group in the NEXMAP Section currently consists of two tenured faculty, one postdoc and two PhD students, and we have a long-lasting strong collaboration with the Theory Group of Prof. K. B. Møller at DTU Chemistry, who will co-supervise the projects focused towards simulations. We have an egalitarian and relaxed work culture, relying on everyone to be goal-oriented and willing to take ownership and responsibility for their own projects and their role in the Group efforts. Technology for people DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear vision to develop and create value using science and engineering to benefit society. That vision lives on today. DTU has 12,000 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. Our main campus is in Kgs. Lyngby north of Copenhagen and we have campuses in Roskilde and Ballerup and in Sisimiut in Greenland.
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