Sergei Manzhos
Title
Cited by
Cited by
Year
A random-sampling high dimensional model representation neural network for building potential energy surfaces
S Manzhos, T Carrington Jr
The Journal of chemical physics 125 (8), 084109, 2006
1992006
A nested molecule-independent neural network approach for high-quality potential fits
S Manzhos, X Wang, R Dawes, T Carrington
The Journal of Physical Chemistry A 110 (16), 5295-5304, 2006
1572006
Using neural networks to represent potential surfaces as sums of products
S Manzhos, T Carrington Jr
The Journal of chemical physics 125 (19), 194105, 2006
1422006
Neural network‐based approaches for building high dimensional and quantum dynamics‐friendly potential energy surfaces
S Manzhos, R Dawes, T Carrington
International Journal of Quantum Chemistry 115 (16), 1012-1020, 2015
1162015
Using neural networks, optimized coordinates, and high-dimensional model representations to obtain a vinyl bromide potential surface
S Manzhos, T Carrington Jr
The Journal of chemical physics 129 (22), 224104, 2008
962008
Using redundant coordinates to represent potential energy surfaces with lower-dimensional functions
S Manzhos, T Carrington Jr
The Journal of chemical physics 127 (1), 014103, 2007
922007
In search of high performance anode materials for Mg batteries: Computational studies of Mg in Ge, Si, and Sn
OI Malyi, TL Tan, S Manzhos
Journal of Power Sources 233, 341-345, 2013
832013
Photofragment image analysis using the Onion-Peeling Algorithm
S Manzhos, HP Loock
Computer physics communications 154 (1), 76-87, 2003
812003
A comparative computational study of structures, diffusion, and dopant interactions between Li and Na insertion into Si
OI Malyi, TL Tan, S Manzhos
Applied Physics Express 6 (2), 027301, 2013
742013
Insertion energetics of lithium, sodium, and magnesium in crystalline and amorphous titanium dioxide: a comparative first-principles study
F Legrain, O Malyi, S Manzhos
Journal of Power Sources 278, 197-202, 2015
682015
A computational study of the insertion of Li, Na, and Mg atoms into Si (111) nanosheets
O Malyi, VV Kulish, TL Tan, S Manzhos
Nano Energy 2 (6), 1149-1157, 2013
672013
Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy
A Kamath, RA Vargas-Hernández, RV Krems, T Carrington Jr, S Manzhos
The Journal of chemical physics 148 (24), 241702, 2018
662018
Study of Interfacial Charge Transfer Bands and Electron Recombination in the Surface Complexes of TCNE, TCNQ, and TCNAQ with TiO2
S Manzhos, R Jono, K Yamashita, J Fujisawa, M Nagata, H Segawa
The Journal of Physical Chemistry C 115 (43), 21487-21493, 2011
652011
Phenothiazine and carbazole substituted pyrene based electroluminescent organic semiconductors for OLED devices
JK Salunke, FL Wong, K Feron, S Manzhos, MF Lo, D Shinde, A Patil, ...
Journal of Materials Chemistry C 4 (5), 1009-1018, 2016
632016
Molecular engineering using an anthanthrone dye for low‐cost hole transport materials: a strategy for dopant‐free, high‐efficiency, and stable perovskite solar cells
HD Pham, TT Do, J Kim, C Charbonneau, S Manzhos, K Feron, WC Tsoi, ...
Advanced Energy Materials 8 (16), 1703007, 2018
622018
Controlling Na diffusion by rational design of Si-based layered architectures
VV Kulish, OI Malyi, MF Ng, Z Chen, S Manzhos, P Wu
Physical Chemistry Chemical Physics 16 (9), 4260-4267, 2014
602014
A computational study of Na behavior on graphene
OI Malyi, K Sopiha, VV Kulish, TL Tan, S Manzhos, C Persson
Applied Surface Science 333, 235-243, 2015
542015
Aluminum doping improves the energetics of lithium, sodium, and magnesium storage in silicon: a first-principles study
F Legrain, S Manzhos
Journal of Power Sources 274, 65-70, 2015
532015
Comparative computational study of the energetics of Li, Na, and Mg storage in amorphous and crystalline silicon
F Legrain, OI Malyi, S Manzhos
Computational materials science 94, 214-217, 2014
532014
Superexcited state reconstruction of HCl using photoelectron and photoion imaging
C Romanescu, S Manzhos, D Boldovsky, J Clarke, HP Loock
The Journal of chemical physics 120 (2), 767-777, 2004
522004
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Articles 1–20