1[期刊论文]

Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks

作者：Kun Yao ;John Parkhill

来源：Journal of Chemical Theory and Computation. 2016 ;12(3):1139-1147.doi:10.1021/acs.jctc.5b01011

出版社：American Chemical Society

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2[期刊论文]

Nonadiabatic Dynamics for Electrons at Second-Order: Real-Time TDDFT and OSCF2

作者：Triet S. Nguyen ;John Parkhill

来源：Journal of Chemical Theory and Computation. 0 ;.doi:10.1021/acs.jctc.5b00262

出版社：American Chemical Society

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3[期刊论文]

Nonradiative Relaxation in Real-Time Electronic Dynamics OSCF2: Organolead Triiodide Perovskite

作者：Triet S. Nguyen ;John Parkhill

来源：The Journal of Physical Chemistry A. 2016 ;120(34):6880-6887.doi:10.1021/acs.jpca.6b06937

出版社：American Chemical Society

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4[期刊论文]

How electronic dynamics with Pauli exclusion produces Fermi-Dirac statistics

作者：Triet S. Nguyen ;Ravindra Nanguneri ;John Parkhill

来源：The Journal of Chemical Physics. 2015 ;142(13):134113.doi:10.1063/1.4916822

出版社：AIP Publishing

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5[期刊论文]

Cost-effective description of strong correlation: Efficient implementations of the perfect quadruples and perfect hextuples models

作者：Susi Lehtola ;John Parkhill ;Martin Head-Gordon

来源：The Journal of Chemical Physics. 2016 ;145(13):134110.doi:10.1063/1.4964317

出版社：AIP Publishing

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6[期刊论文]

The many-body expansion combined with neural networks

作者：Kun Yao ;John E. Herr ;John Parkhill

来源：The Journal of Chemical Physics. 2017 ;146(1):014106.doi:10.1063/1.4973380

出版社：AIP Publishing

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7[期刊论文]

Orbital optimisation in the perfect pairing hierarchy: applications to full-valence calculations on linear polyacenes

作者：Susi Lehtola ;John Parkhill ;Martin Head-Gordon

来源：Molecular Physics. 2018 ;116(5-6):547-560.doi:10.1080/00268976.2017.1342009

出版社：Taylor & Francis Group

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8[期刊论文]

Accelerating Realtime TDDFT with Block-Orthogonalized Manby–Miller Embedding Theory

作者：John Parkhill ;Kevin J. Koh ;Triet S. Nguyen-Beck

来源：Journal of Chemical Theory and Computation. 2017 ;13(9):4173-4178.doi:10.1021/acs.jctc.7b00494

出版社：American Chemical Society

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9[期刊论文]

Intrinsic Bond Energies from a Bonds-in-Molecules Neural Network

作者：Kun Yao ;John E. Herr ;Seth N. Brown 等

来源：The Journal of Physical Chemistry Letters. 2017 ;8(12):2689-2694.doi:10.1021/acs.jpclett.7b01072

出版社：American Chemical Society

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10[期刊论文]

Black-Box, Real-Time Simulations of Transient Absorption Spectroscopy

作者：Joong Hoon Koh ;Susan Lefelhocz ;John Parkhill 等

来源：The Journal of Physical Chemistry Letters. 2016 ;7(8):1590-1595.doi:10.1021/acs.jpclett.6b00421

出版社：American Chemical Society

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