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Journal of Chemical Theory and Computation|April 19, 2017
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1-86)Stefan Grimme, Christoph Bannwarth, Philip Shushkov
The Journal of Chemical Physics|December 20, 2012
Ring polymer molecular dynamics with surface hoppingPhilip Shushkov, Richard Li, John C Tully
The Journal of Physical Chemistry Letters|February 17, 2021
Small Nuclear Quantum Effects in Scattering of H and D from GrapheneHongyan Jiang, Xuecheng Tao, Marvin Kammler, et al.
Angewandte Chemie (International Ed. in English)|February 3, 2016
Synthesis and Dynamics of Nanosized Phenylene-Ethynylene-Butadiynylene Rotaxanes and the Role of Shape PersistenceChristopher Schweez, Philip Shushkov, Stefan Grimme, et al.
The Journal of Physical Chemistry. A|April 18, 2013
Orthogonality constrained density functional theory for electronic excited statesFrancesco A Evangelista, Philip Shushkov, John C Tully
The Journal of Chemical Physics|February 24, 2011
Mixed time slicing in path integral simulationsRyan P Steele, Jill Zwickl, Philip Shushkov, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|March 27, 2010
Structural aspects of lipid monolayers: computer simulation analysesPhilip Shushkov, Stanislav Tzvetanov, Maria Velinova, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|March 27, 2010
Molecular dynamics study of the electric and dielectric properties of model DPPC and dicaprin insoluble monolayers: size effectStanislav Tzvetanov, Philip Shushkov, Maria Velinova, et al.
The Journal of Chemical Physics|November 26, 2008
Isomorphic classical molecular dynamics model for an excess electron in a supercritical fluidThomas F Miller
The Journal of Physical Chemistry. B|May 25, 2023
Computational Design of Molecular Probes for Electronic Preresonance Raman Scattering MicroscopyJiajun Du, Xuecheng Tao, Tomislav Begušić, et al.
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