Follow
Maksim Kulichenko
Maksim Kulichenko
Director's Postdoc Fellow, Los Alamos National Laboratory
Verified email at lanl.gov - Homepage
Title
Cited by
Cited by
Year
Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5] catenanes built from cyclo [18] carbon
N Fedik, M Kulichenko, D Steglenko, AI Boldyrev
Chemical communications 56 (18), 2711-2714, 2020
562020
Extending machine learning beyond interatomic potentials for predicting molecular properties
N Fedik, R Zubatyuk, M Kulichenko, N Lubbers, JS Smith, B Nebgen, ...
Nature Reviews Chemistry 6 (9), 653-672, 2022
502022
The rise of neural networks for materials and chemical dynamics
M Kulichenko, JS Smith, B Nebgen, YW Li, N Fedik, AI Boldyrev, ...
The Journal of Physical Chemistry Letters 12 (26), 6227-6243, 2021
502021
Hydrated Sulfate Clusters SO42–(H2O)n (n = 1–40): Charge Distribution Through Solvation Shells and Stabilization
M Kulichenko, N Fedik, KV Bozhenko, AI Boldyrev
The Journal of Physical Chemistry B 123 (18), 4065-4069, 2019
342019
Uncertainty-driven dynamics for active learning of interatomic potentials
M Kulichenko, K Barros, N Lubbers, YW Li, R Messerly, S Tretiak, ...
Nature Computational Science 3 (3), 230-239, 2023
292023
σ-Aromaticity in the MoS2 Monolayer
M Kulichenko, AI Boldyrev
The Journal of Physical Chemistry C 124 (11), 6267-6273, 2020
272020
Expansion of magnetic aromaticity criteria to multilayer structures: magnetic response and spherical aromaticity of matryoshka‐like cluster [Sn@ Cu12@ Sn20] 12−
M Kulichenko, N Fedik, A Boldyrev, A Muñoz‐Castro
Chemistry–A European Journal 26 (10), 2263-2268, 2020
252020
High‐Resolution Photoelectron Imaging of IrB3: Observation of a π‐Aromatic B3+ Ring Coordinated to a Transition Metal
J Czekner, LF Cheung, GS Kocheril, M Kulichenko, AI Boldyrev, LS Wang
Angewandte Chemie International Edition 58 (26), 8877-8881, 2019
232019
Inorganic Molecular Electride Mg4O3: Structure, Bonding, and Nonlinear Optical Properties
M Kulichenko, N Fedik, KV Bozhenko, AI Boldyrev
Chemistry–A European Journal 25 (20), 5311-5315, 2019
212019
Photoelectron Spectroscopy of Size-Selected Bismuth–Boron Clusters: BiBn (n = 6–8)
WJ Chen, M Kulichenko, HW Choi, J Cavanagh, DF Yuan, AI Boldyrev, ...
The Journal of Physical Chemistry A 125 (31), 6751-6760, 2021
192021
“Bottled” spiro-doubly aromatic trinuclear [Pd 2 Ru]+ complexes
M Kulichenko, N Fedik, A Monfredini, A Muñoz-Castro, D Balestri, ...
Chemical Science 12 (1), 477-486, 2021
192021
Two names of stability: Spherical aromatic or superatomic intermetalloid cluster [Pd3Sn8Bi6] 4−
N Fedik, M Kulichenko, AI Boldyrev
Chemical Physics 522, 134-137, 2019
192019
Periodic F-defects on the MgO surface as potential single-defect catalysts with non-linear optical properties
M Kulichenko, N Fedik, D Steglenko, RM Minyaev, VI Minkin, AI Boldyrev
Chemical Physics 532, 110680, 2020
162020
Double σ-Aromaticity in a Planar Zinc-Doped Gold Cluster: Au9Zn
M Kulichenko, WJ Chen, YY Zhang, CQ Xu, J Li, LS Wang
The Journal of Physical Chemistry A 125 (21), 4606-4613, 2021
142021
Bridging Aromatic/Antiaromatic Units: Recent Advances in Aromaticity and Antiaromaticity in Main‐Group and Transition‐Metal Clusters from Bonding and Magnetic Analyses
NV Tkachenko, IA Popov, M Kulichenko, N Fedik, ZM Sun, ...
European Journal of Inorganic Chemistry 2021 (41), 4239-4250, 2021
132021
Probing copper-boron interactions in the Cu2B8− bimetallic cluster
M Kulichenko, WJ Chen, HW Choi, DF Yuan, AI Boldyrev, LS Wang
Journal of Vacuum Science & Technology A 40 (4), 2022
82022
NEXMD v2. 0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations
VM Freixas, W Malone, X Li, H Song, H Negrin-Yuvero, R Pérez-Castillo, ...
Journal of Chemical Theory and Computation 19 (16), 5356-5368, 2023
72023
Photoelectron Spectroscopy and Theoretical Study of Di-Copper–Boron Clusters: Cu2B3 and Cu2B4
AS Pozdeev, WJ Chen, HW Choi, M Kulichenko, DF Yuan, AI Boldyrev, ...
The Journal of Physical Chemistry A 127 (22), 4888-4896, 2023
62023
Synergy of semiempirical models and machine learning in computational chemistry
N Fedik, B Nebgen, N Lubbers, K Barros, M Kulichenko, YW Li, ...
The Journal of Chemical Physics 159 (11), 2023
42023
On the structures and bonding of copper boride nanoclusters, Cu2Bx–(x= 5–7)
AS Pozdeev, WJ Chen, M Kulichenko, HW Choi, AI Boldyrev, LS Wang
Solid State Sciences 142, 107248, 2023
32023
The system can't perform the operation now. Try again later.
Articles 1–20