フォロー
Sergei Manzhos
Sergei Manzhos
Associate Professor, Ihara-Manzhos laboratory, Tokyo Institute of Technology
確認したメール アドレス: m.titech.ac.jp - ホームページ
タイトル
引用先
引用先
年
A random-sampling high dimensional model representation neural network for building potential energy surfaces
S Manzhos, T Carrington
The Journal of chemical physics 125 (8), 2006
2852006
Neural network potential energy surfaces for small molecules and reactions
S Manzhos, T Carrington Jr
Chemical Reviews 121 (16), 10187-10217, 2020
2682020
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
2332018
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
2172015
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
2142006
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
2022019
Using neural networks to represent potential surfaces as sums of products
S Manzhos, T Carrington
The Journal of chemical physics 125 (19), 2006
2012006
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
1702018
Roadmap on machine learning in electronic structure
HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ...
Electronic Structure 4 (2), 023004, 2022
1372022
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
1332016
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
1242013
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
1232008
Using redundant coordinates to represent potential energy surfaces with lower-dimensional functions
S Manzhos, T Carrington
The Journal of chemical physics 127 (1), 2007
1192007
On the charge state of titanium in titanium dioxide
D Koch, S Manzhos
The journal of physical chemistry letters 8 (7), 1593-1598, 2017
1122017
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
1092015
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
1052015
Photofragment image analysis using the Onion-Peeling Algorithm
S Manzhos, HP Loock
Computer physics communications 154 (1), 76-87, 2003
1022003
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
982013
Machine learning for the solution of the Schrödinger equation
S Manzhos
Machine Learning: Science and Technology 1 (1), 013002, 2020
972020
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
902013
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論文 1–20