Research Positions-Theoretical & computational investigations of new materials for energy storage Job in Cambridge 02142, Massachusetts US

Theoretical and computational investigations of new materials for energy storage and conversion

 

Bosch Research is hiring theoretical physicists and chemists in the field of materials for energy applications to join our Cambridge, MA office located adjacent to the MIT campus. The candidate will become a member of the global team that works to develop accurate first-principles atomistic computational methods to enable deeper understanding of thermodynamic and transport phenomena on quantum level, and to apply and automate them to design next-generation materials and devices. As part of Bosch Corporate Research, we are dedicated to long-term fundamental investigations of transformative energy technologies. Our growing team consists of recent graduates from the top research groups in US and works to support experimental efforts, with strong focus on innovation and high technological impact. Using both internal funding and grants from NSF and DOE, we collaborate closely with a network of leading theoretical and experimental teams which includes MIT, Caltech, Stanford, Berkeley, LBNL, EPFL, ICAMS, and industrial partners. We strongly encourage high-impact publications and patent applications.  Projects include:

 

·         Thermoelectric energy conversion. Understanding and decoupling of thermal and electronic transport processes in thermoelectric materials. Method development for ab-initio predictions of carrier scattering mechanisms from phonon and electron spectra and interactions. Efficient computational treatment of spin-orbit coupling, quasiparticle lifetimes, and transport in plane-wave and Wannier representations.

·         Li-ion cathodes. Thermodynamics and ionic transport in correlated transition-metal compounds from molecular dynamics and Monte Carlo computations. Post-DFT and self-interaction corrected methods for predicting electronic structure and polaron transport. Ab-initio predictions of spectra (Raman, NMR, XANES/EELS) to support characterization and detailed understanding of electrochemical mechanisms. Design of new materials using informatics and data mining approaches.

·         Surface electrochemistry. Structure and dynamics of the electrode-electrolyte interfaces in Li-ion, Li-air and stationary redox-flow aqueous batteries. Modeling of solvation and electrostatic effects on reaction mechanisms on active and catalytic surfaces. Understanding of poisoning and formation of solid films on electrodes as a function of applied potential. Ab-initio spectroscopy of molecular species. Organo-metallic chemistry and charge transfer in Li-ion and Li-air electrolytes.

·         Photovoltaic upconversion. Accurate computations of electronic levels and excited state vibrational spectra in organo-metallic complexes, using time-dependent DFT and many-body perturbation theory approaches. Quantum chemical analysis of optical processes and energy transfer within and among molecules. Understanding of surface plasmonic enhancement of optical processes.

·         Electronic transport in nanostructures. Understanding electron transport and electrostatic effects in low-dimensional nanostructures for sensor and energy conversion applications. Ballistic tunneling and breakdown phenomena. Quantitative assessment of effects through construction of theoretical models, including many-body screening and correlation effects.

 

Requirements:


PhD from a top-tier institution, commitment to excellence, independence and ability to drive a research topic are required. Experience in quantum modeling and numerical algorithms preferred.

 

To apply send a PDF CV to 61999-CS-1346@boschresearch.hrmdirect.com

 

For a sample of our recent work see:

1.         J. Garg et al, “Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study”, Phys. Rev. Lett, 106, 045901 (2011)

2.         R. Armiento et al, “Screening for high-performance piezoelectrics using high-throughput density functional theory”, Phys. Rev. B, 84, 014103 (2011)

3.         J. Christensen et al, “A Critical Review of Li/Air Batteries”, J. Electrochem. Soc, 159, R1 (2012).

4.         D. Wee et all, “Effects of filling in CoSb3: Local structure, band gap, and phonons from first principles”, Phys. Rev. B, 81, 045204 (2010)

  

The Bosch Group is a leading global supplier of technology and services. In the areas of automotive, industrial and building technology and consumer goods, more than 300,000 associates generated sales of over $69 billion in 2011. The privately owned Bosch Group comprises Robert Bosch GmbH and its roughly 300 subsidiary and regional companies in over 50 countries. Corporate Research at Bosch employs some 1300 researchers at locations in Germany, United States, Singapore, China, Japan and Russia. The effort is part of Bosch’s commitment to advancing technology, manifested in 39,000 associates working in research and development units, and total investment of over $40B over the last ten years. In accordance to its motto, “invented for life”, Bosch is dedicated to responsible use of our environment, and is currently active in renewable energy generation through its photovoltaics business Bosch Ersol, energy storage through its Li-ion battery joint venture SB LiMotive, and wind energy through Bosch Rexroth. To learn more please visit http://www.bosch.us and http://www.boschresearch.com .