截止日期：2012-07-10

日期：2012/07/10（星期二）

時間：自10時00分至11時00分

演講地點(地址): 原分所4F張昭鼎紀念講堂 (CT Chang Memorial Hall, IAMS)

演講者: Prof. Phillip C. Stancil

演講者職稱：Professor

演講者服務單位：Dept. of Physics and Astronomy and the Center for Simulational Physics, Univ. of Georgia, USA

演講題目：Overcoming the Classical Barrier: towards quantum simulation of macromolecular chemical dynamics





【Abstract】



In the first half of this talk, I\'ll review the status of inelastic and reactive scattering calculations on classical computers focusing on time-dependent methods and size limitations for practical calculations at the total and quantum state-to-state level. Strategies for computational time-savings (e.g., angular momentum decoupling approximations, reduced dimensionality approaches) and time-independent methods will be discussed.



In the second half, the single excitation subspace (SES) approach to quantum simulation of chemical dynamics will be introduced [1]. Demonstrations of the method will be given for simulations of simple atom-atom and atom-molecule collision systems as envisioned on networks of coupled superconducting quantum computing devices. Resource estimation comparisons between classical computations and SES simulations will be discussed as well as the prospects for performing quantum simulations of macromolecular systems, highlighting the largest systems computable today on classical devices.



[1] E. J. Pritchett, C. Benjamin, A. Galiautdinov, M. R. Geller, A. T. Sornborger, P. C. Stancil, and J. Martinis, arXiv:1008.0701.





Support from NSF Grants gratefully acknowledged. This work performed in collaboration with Michael Geller, Emily Pritchett, and Andrew Sornborger.





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