Neil Shenvi

发表

Quantum random-walk search algorithm

K. Birgitta Whaley, Julia Kempe, K. B. Whaley, 2002, quant-ph/0210064.

Controlling spin contamination using constrained density functional theory.

Neil Shenvi, N. Shenvi, J. Tully, 2008, The Journal of chemical physics.

Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4)).

Yang Yang, Weitao Yang, Neil Shenvi, 2014, The Journal of chemical physics.

Substituent Ordering and Interpolation in Molecular Library Optimization

Neil Shenvi, Herschel Rabitz, John M. Geremia, 2003 .

Qubit coherence control in a nuclear spin bath

K. Birgitta Whaley, Neil Shenvi, Rogerio de Sousa, 2005 .

The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling.

Yang Yang, Weitao Yang, Neil Shenvi, 2013, The Journal of chemical physics.

The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactions.

Ryan P Steele, Joseph E Subotnik, Neil Shenvi, 2009, The Journal of chemical physics.

Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamics.

Weitao Yang, Joseph E Subotnik, Neil Shenvi, 2011, The Journal of chemical physics.

Efficient chemical kinetic modeling through neural network maps.

Neil Shenvi, Herschel Rabitz, H. Rabitz, 2004, The Journal of chemical physics.

Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to ab initio theories of nonadiabatic molecule-surface interactions.

Kai Golibrzuch, Russell Cooper, Neil Shenvi, 2012, Angewandte Chemie.

Nonlinear Kinetic Parameter Identification through Map Inversion

Neil Shenvi, Herschel Rabitz, H. Rabitz, 2002 .