Tang-Qing Yu
Tang-Qing Yu
Postdoc Associate, Courant Institute of Mathematical Sciences, New York University
Verified email at nyu.edu
Title
Cited by
Cited by
Year
Microscopic mechanisms of equilibrium melting of a solid
A Samanta, ME Tuckerman, TQ Yu, E Weinan
Science 346 (6210), 729-732, 2014
792014
Quantum-chemical predictions of redox potentials of organic anions in dimethyl sulfoxide and reevaluation of bond dissociation enthalpies measured by the electrochemical methods
Y Fu, L Liu, YM Wang, JN Li, TQ Yu, QX Guo
The Journal of Physical Chemistry A 110 (17), 5874-5886, 2006
682006
Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energy
TQ Yu, ME Tuckerman
Physical review letters 107 (1), 015701, 2011
652011
How to promote sluggish electrocyclization of 1, 3, 5-hexatrienes by captodative substitution
TQ Yu, Y Fu, L Liu, QX Guo
The Journal of organic chemistry 71 (16), 6157-6164, 2006
612006
Locating landmarks on high-dimensional free energy surfaces
M Chen, TQ Yu, ME Tuckerman
Proceedings of the National Academy of Sciences 112 (11), 3235-3240, 2015
432015
Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions
TQ Yu, PY Chen, M Chen, A Samanta, E Vanden-Eijnden, M Tuckerman
The Journal of chemical physics 140 (21), 06B603_1, 2014
432014
Measure-preserving integrators for molecular dynamics in the isothermal–isobaric ensemble derived from the Liouville operator
TQ Yu, J Alejandre, R López-Rendón, GJ Martyna, ME Tuckerman
Chemical Physics 370 (1-3), 294-305, 2010
432010
Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations
TQ Yu, M Lapelosa, E Vanden-Eijnden, CF Abrams
Journal of the American Chemical Society 137 (8), 3041-3050, 2015
332015
‐Substituent Effects on Si–H, P–H and S–H Bond Dissociation Energies
Y Fu, TQ Yu, YM Wang, L Liu, QX Guo
Chinese Journal of Chemistry 24 (3), 299-306, 2006
232006
Multiscale implementation of infinite-swap replica exchange molecular dynamics
TQ Yu, J Lu, CF Abrams, E Vanden-Eijnden
Proceedings of the National Academy of Sciences 113 (42), 11744-11749, 2016
202016
Sampling saddle points on a free energy surface
A Samanta, M Chen, TQ Yu, M Tuckerman, W E
The Journal of Chemical Physics 140 (16), 04B610_1, 2014
142014
Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics
A Bucci, TQ Yu, E Vanden-Eijnden, CF Abrams
Journal of chemical theory and computation 12 (6), 2964-2972, 2016
62016
Constrained molecular dynamics in the isothermal-isobaric ensemble and its adaptation for adiabatic free energy dynamics
TQ Yu, ME Tuckerman
The European Physical Journal Special Topics 200 (1), 183-209, 2011
62011
Intermolecular photoinduced electron-transfer processes between C60 and aniline derivatives in benzonitrile
Y Pan, W Tang, T Yu, JT Wang, Y Fu, G Wang, S Yu
Journal of luminescence 126 (2), 421-426, 2007
62007
Markovian Milestoning for Computing Entry, Exit, and Internal Diffusion Rates of Ligands in Proteins
TQ Yu, A Bucci, E Vanden-Eijnden, C Abrams
Biophysical Journal 108 (2), 216a, 2015
22015
Algorithms for the exploration of rugged energy landscapes and construction of free energy hypersurfaces in complex systems
ME Tuckerman, TQ Yu, A Samanta, PY Chen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
Temperature and rate sensitivity of melting in Cu
A Samanta, TQ Yu
APS 2013, N25. 003, 2013
2013
Atomistic simulations of melting and solidification using temperature accelerated molecular dynamics
TQ Yu, A Samanta, M Tuckerman
APS 2013, M25. 005, 2013
2013
Exploring the free energy landscapes of biomolecules and crystalline polymorphs
ME Chen, TQE Yu, ME Cuendet, ME Tuckerman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012
2012
Exploring crystalline polymorphism: A novel method based on free energy surface
TQ Yu, M Tuckerman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 241, 2011
2011
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Articles 1–20