Patrick L. Theofanis, Ph.D.

Affiliations: 
2012 Chemistry California Institute of Technology, Pasadena, CA 
Area:
Theoretical chemistry
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William A. Goddard grad student 2012 Caltech
 (The Quantum Electron Dynamics of Materials Subjected to Extreme Environments.)
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Publications

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Kondati Natarajan S, Nolan M, Theofanis PL, et al. (2020) Mechanism of Thermal Atomic Layer Etch of W metal using Sequential Oxidation and Chlorination: A First-Principles Study. Acs Applied Materials & Interfaces
King MJ, Theofanis PL, Lemaire PC, et al. (2018) Ab initio analysis of nucleation reactions during tungsten atomic layer deposition on Si(100) and W(110) substrates Journal of Vacuum Science & Technology A. 36: 061507
Lin KL, Cross GLW, Gleeson P, et al. (2015) Adhesion Limits and Design Criteria for Nanorelays Ieee Transactions On Electron Devices
Xiao H, Jaramillo-Botero A, Theofanis PL, et al. (2015) Non-adiabatic dynamics modeling framework for materials in extreme conditions Mechanics of Materials. 90: 243-252
Jaramillo-Botero A, An Q, Theofanis PL, et al. (2013) Large-scale molecular simulations of hypervelocity impact of materials Procedia Engineering. 58: 167-176
Theofanis PL, Jaramillo-Botero A, Goddard WA, et al. (2012) Nonadiabatic study of dynamic electronic effects during brittle fracture of silicon. Physical Review Letters. 108: 045501
Theofanis PL, Jaramillo-Botero A, Goddard WA, et al. (2012) Electron dynamics of shocked polyethylene crystal Physical Review B - Condensed Matter and Materials Physics. 85
Theofanis PL, Goddard WA. (2011) Understanding β-hydride eliminations from heteroatom functional groups Organometallics. 30: 4941-4948
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