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Postdoc Positions on DFT and Experimental Studie ... (No replies)

Sun
4 years ago
Sun 4 years ago

Postdoc Positions on DFT and Experimental Studies of Materials under High Pressure at Nanjing University

 

Keywords: high pressure, crystal structure predictions, first-principles calculations, AIMD simulations, machine-learning, materials design, DACs, HP synchrotron XRD, HP Raman, HP electric transport measurements, superhard, superconductivity, superionic states

 

Two postdoctoral positions on DFT and experimental studies of materials under high pressure are available in Prof. Jian Sun’s group at Nanjing University, China, one on experiment and one on theory:

https://physics.nju.edu.cn//ry/gk/hwgccqnrc/20191105/i45408.html

https://publons.com/researcher/2845232/jian-sun/

 

Position #1 will be focused on the experimental studies on the structural and electronic phase transitions of materials under high pressure, and the synthesis of functional materials, using high pressure synchrotron XRD, Raman and electric transport measurements in DACs. Related work:

(1) Y. H. Zhou, et al., “Pressure-induced new topological Weyl Semimetal phase in TaAs”, Phys. Rev. Lett. 117, 146402 (2016).

https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.117.146402

(2) Y.H. Zhou, et al., “Pressure-induced superconductivity in a three-dimensional topological material ZrTe5”, Proc. Natl. Acad. Sci. U.S.A. 113, 2904 (2016).

https://www.pnas.org/content/113/11/2904

(3) J. Wu, et al., “Ground states of Au2Pb and pressure-enhanced superconductivity”, Phys. Rev. B 100, 060103R (2019).

https://journals.aps.org/prb/abstract/10.1103/PhysRevB.100.060103

 

Position #2 will be focused on the development and applications of crystal structure predictions combining with first-principles calculations and machine-learning, such as:

  1. Dynamical simulations of matters under extreme conditions: new states of matters, melting, growth, phase transition mechanisms, structure of liquids, etc;

(4) C. Liu et al., “Plastic and Superionic Helium Ammonia Compounds under High Pressure and High Temperature”, Phys. Rev. X 10, 021007 (2020).

https://journals.aps.org/prx/abstract/10.1103/PhysRevX.10.021007

(5) G. Yuan, et al., “Proton-assisted growth of ultra-flat graphene films”, Nature 577, 204 (2020). https://www.nature.com/articles/s41586-019-1870-3

(6) C. Liu, et al., “Multiple superionic states in helium-water compounds”, Nature Physics 15, 1065 (2019). https://www.nature.com/articles/s41567-019-0568-7

(7) J. Sun, et al., "Understanding THz Spectra of Aqueous Solutions: Glycine in Light and Heavy Water", J. Am. Chem. Soc. 136, 5031 (2014).

https://pubs.acs.org/doi/abs/10.1021/ja4129857

(8) J. Sun, et al., “High Pressure Polymeric Phases of Carbon Dioxide”, Proc. Natl. Acad. Sci. U.S.A. 106, 6077 (2009). https://www.pnas.org/content/106/15/6077

 

  1. Crystal structure predictions and static calculations on the properties of materials under high pressure: topological quantum materials, design of functional materials (superhard, high-energy-density, superconductors), etc:

(9) J. Sun, et al., "Stable all nitrogen metallic salt at terapascal pressures", Phys. Rev. Lett. 111, 175502 (2013).

https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.111.175502

(10) J. Sun, et al., “Persistence and eventual demise of oxygen molecules at terapascal pressures”, Phys. Rev. Lett. 108, 045503 (2012).

https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.108.045503

(11) J. Sun, et al., “Controlling the Bonding and Band Gaps of Solid Carbon Monoxide with Pressure”, Phys. Rev. Lett. 106, 145502 (2011).

https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.106.145502

(12) K. Xia, et al., "Predictions on High-Power Trivalent Metal Pentazolate Salts", J. Phys. Chem. Lett. 10, 6166−6173 (2019). https://pubs.acs.org/doi/10.1021/acs.jpclett.9b02383

 

  1. Development of computational methods: crystal structure predictions, machine-learning force fields, graph theory, etc;

(13) K. Xia, et al, “A novel superhard tungsten nitride predicted by machine-learning accelerated crystal structure search”, Sci. Bull. 63, 817 (2018).

https://doi.org/10.1016/j.scib.2018.05.027

(14) H. Gao, et al., “Improve the performance of machine-learning potentials by optimizing descriptors”, J. Chem. Phys. 150, 244110 (2019). https://doi.org/10.1063/1.5097293

 

QUALIFICATIONS: Candidates with a strong background in condensed matter physics / materials theory, numerical implementations for first-principles methods, with a Ph.D. in the relevant fields are encouraged to apply. Preference will be given to candidates who have experience with method development and code implementation for crystal structure predictions, machine-learning, electron-phonon couplings, and molecular dynamics; Or experimental skills on high pressure synchrotron XRD, Raman, and electric transport measurements.

 

TO APPLY: Applicants should send their motivation letter, CV with publication list, research introduction and contact information of three references to [email protected]  (Title of the email should start with “application for postdoc position - your name”).

 

TERM OF APPOINTMENT: The positions are funded for three years, with the possibility of continuation contingent on positive performance review and available funding. The starting date can be negotiable.

 

SALARY AND BENIFITS: Basic salary (34-42K USD/yr) + additional Bonus (up to 42K USD/yr, performance dependent). More details can be found in the enclosed PDF file or inquired from Prof. Jian Sun ([email protected]).

Application-Guide-for-Yuxiu-Young-Scholars-Program-of-Nanjing-University.pdf



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Ab initio (from electronic structure) calculation of complex processes in materials