Sergei Manzhos

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Prashant SonarProfessor & ARC Future Fellow, Organic and Printed Electronic Research Group @QUTVerified email at qut.edu.au
T CarringtonQueen's UniversityVerified email at queensu.ca
Krishna Feronkrishna.feron@newcastle.edu.auVerified email at newcastle.edu.au
Yingqian ChenResearch Fellow, National University of SingaporeVerified email at u.nus.edu
Oleksandr I. MalyiInverse Materials Design groupVerified email at e.ntu.edu.sg
Hong-Duc (David) PhamPhD, Postdoctoral Research Fellow, Centre for Materials Science @QUTVerified email at qut.edu.au
Daniel KochPostdoctoral Researcher, Institut National de la Recherche ScientifiqueVerified email at inrs.ca
John BellQueensland University of TechnologyVerified email at qut.edu.au
Qian LIU (刘谦)Southern University of Science and TechnologyVerified email at sustech.edu.cn
Il JeonAssociate Professor & Vice Provost, Sungkyunkwan University (SKKU)Verified email at spc.oxon.org
Hiroshi SegawaVerified email at mail.ecc.u-tokyo.ac.jp
Steven BottleChemistry QUT Queensland University of TechnologyVerified email at qut.edu.au
Johann LüderNational Sun Yat-sen UniversityVerified email at mail.nsysu.edu.tw
Teck Leong TanInstitute of High Performance Computing SingaporeVerified email at ihpc.a-star.edu.sg
Hans-Peter LoockUniversity of Victoria (Queen's University 1999-2019)Verified email at uvic.ca
Vadym KulishNational University of SingaporeVerified email at nus.edu.sg
Yutaka MatsuoNagoya UniversityVerified email at chem.material.nagoya-u.ac.jp
Shigeo MaruyamaProfessor of Mechanical Engineering, The University of TokyoVerified email at photon.t.u-tokyo.ac.jp
Hao-Sheng LinAssistant Professor, Nagoya UniversityVerified email at material.nagoya-u.ac.jp
Amrita PalNUS - National University of SingaporeVerified email at nus.edu.sg

Sergei Manzhos

Associate Professor, Ihara-Manzhos laboratory, Tokyo Institute of Technology

Verified email at m.titech.ac.jp - Homepage

machine learning solar cells fuel cells computational spectroscopy large-scale ab initio


Title Sort by citations Sort by year Sort by 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	254	2006
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	190	2006
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	184	2015
Using neural networks to represent potential surfaces as sums of products S Manzhos, T Carrington The Journal of chemical physics 125 (19), 2006	179	2006
Organic interfacial materials for perovskite-based optoelectronic devices HD Pham, L Xianqiang, W Li, S Manzhos, AKK Kyaw, P Sonar Energy & Environmental Science 12 (4), 1177-1209, 2019	164	2019
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, S Manzhos The Journal of chemical physics 148 (24), 2018	161	2018
Neural network potential energy surfaces for small molecules and reactions S Manzhos, T Carrington Jr Chemical Reviews 121 (16), 10187-10217, 2020	144	2020
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	132	2018
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	113	2016
Using neural networks, optimized coordinates, and high-dimensional model representations to obtain a vinyl bromide potential surface S Manzhos, T Carrington The Journal of chemical physics 129 (22), 2008	112	2008
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	107	2013
Using redundant coordinates to represent potential energy surfaces with lower-dimensional functions S Manzhos, T Carrington The Journal of chemical physics 127 (1), 2007	104	2007
Photofragment image analysis using the Onion-Peeling Algorithm S Manzhos, HP Loock Computer physics communications 154 (1), 76-87, 2003	101	2003
On the charge state of titanium in titanium dioxide D Koch, S Manzhos The journal of physical chemistry letters 8 (7), 1593-1598, 2017	92	2017
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	90	2015
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	87	2015
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	87	2013
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	82	2013
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	76	2011
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	75	2014

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