搜索结果: 1-6 共查到“化学 Computation”相关记录6条 . 查询时间(0.078 秒)
Academy of Mathematics and Systems Science, CAS Colloquia & Seminars：Computation and Design of Electrochemical Energy Storage Materials
电化学 储能材料 计算设计
2023/4/25
The key to electrochemical energy storage systems such as Li/Na-ion batteries is materials. The traditional method for exploring new materials is trial-and-error, which often takes a dozen years durin...
Computation of global photochemistry with SMVGEAR II
Computation global photochemistry SMVGEAR II
2015/7/6
Computation of global photochemistry with SMVGEAR II.
Quantum Separation of Local Search and Fixed Point Computation
Quantum query complexity Fixed-point computation Local search Sperner’s lemma Quantum adversary method
2012/12/4
We give a lower bound of (n(d−1)/2) on the quantum query complexity for finding a fixed point of a discrete Brouwer function over grid [n]d. Our lower
bound is nearly tight, as Grover Search c...
A general parallelization approach to improve computation efficiency in a global chemical transport model (GEOS-Chem)
MPI OpenMP parallelization GEOS-Chem modeling performance
2017/8/9
Despite increasing processing power of systems, sequential programs have limitations to achieve corresponding performance gains. Parallelization of sequential programs can exploit the computation pote...
Quantum coherence in nonlinear optical processes: theory and possible application to control of chemical reaction and quantum computation
Chirping Multi-photon absorption Population inversion Quantum control Decoherence
2014/9/24
Phase dependence in nonlinear optical processes reveals an intriguing interplay between the phase coherence of a short laser pulse and the laser-induced quantum wave-packet dynamics, which cannot be o...
The computation of electron transfer rates: The nonadiabatic instanton solution
electron transfer rates nonadiabatic instanton
2014/9/24
A computational theory for determining electron transfer rate constants is formulated based on an instanton expression for the quantum rate and the self-consistent solution of the imaginary time nonad...