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Adebayo A. Adeleke
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Nitrogen in black phosphorus structure
C Ji, AA Adeleke, L Yang, B Wan, H Gou, Y Yao, B Li, Y Meng, JS Smith, ...
Science advances 6 (23), eaba9206, 2020
1322020
Delocalization error: The greatest outstanding challenge in density-functional theory
KR Bryenton, AA Adeleke, SG Dale, ER Johnson
Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (3), e1631, 2022
1222022
Single-bonded allotrope of nitrogen predicted at high pressure
AA Adeleke, MJ Greschner, A Majumdar, B Wan, H Liu, Z Li, H Gou, ...
Physical Review B 96 (22), 224104, 2017
582017
Emerging piezochromism in lead free alkaline earth chalcogenide perovskite AZrS 3 (A= Mg, Ca, Sr and Ba) under pressure
A Majumdar, AA Adeleke, S Chakraborty, R Ahuja
Journal of Materials Chemistry C 8, 16393-16403, 2020
392020
Machine learning metadynamics simulation of reconstructive phase transition
Q Tong, X Luo, AA Adeleke, P Gao, Y Xie, H Liu, Q Li, Y Wang, J Lv, ...
Physical Review B 103 (5), 054107, 2021
282021
Controlling anisotropic properties by manipulating the orientation of chiral small molecules
J Wade, F Salerno, RC Kilbride, DK Kim, JA Schmidt, JA Smith, ...
Nature Chemistry 14, 1383–1389, 2022
272022
Using coherent phonons for ultrafast control of the Dirac node of
CP Weber, MG Masten, TC Ogloza, BS Berggren, MKL Man, KM Dani, ...
Physical Review B 98 (15), 155115, 2018
192018
o-C240: a new sp3-dominated allotrope of carbon
AA Adeleke, AO Adeniyi, H Tang, H Gou, Y Yao
Journal of Physics: Condensed Matter 32 (39), 395401, 2020
182020
A high-pressure compound of argon and nickel: Noble gas in the Earth’s core?
AA Adeleke, M Kunz, E Greenberg, VB Prakapenka, Y Yao, E Stavrou
ACS Earth and Space Chemistry 3 (11), 2517-2524, 2019
152019
Structures of Nanoalloy Clusters AunAln (n = 1–10) and the Growth Patterns to the Bulk Phase
X Wang, AA Adeleke, W Cao, Y Luo, M Zhang, Y Yao
The Journal of Physical Chemistry C 120 (44), 25588-25595, 2016
142016
Formation of Stable Compounds of Potassium and Iron under Pressure
AA Adeleke, Y Yao
The Journal of Physical Chemistry A 124 (23), 4752 - 4763, 2020
112020
High-temperature shape memory loss in nitinol:a first principles study
AA Adeleke, Y Yao
Physical Chemistry Chemical Physics 21, 7508-7517, 2019
112019
Two good metals make a semiconductor: A potassium-nickel compound under pressure
AA Adeleke, E Stavrou, AO Adeniyi, B Wan, H Gou, Y Yao
Physical Review B 102 (13), 134120, 2020
102020
High-pressure structural study of α-Mn: Experiments and calculations
LK Magad-Weiss, AA Adeleke, E Greenberg, VB Prakapenka, Y Yao, ...
Physical Review B 103 (1), 014101, 2021
92021
Effects of dispersion corrections on the theoretical description of bulk metals
AA Adeleke, ER Johnson
Physical Review B 107 (6), 064101, 2023
82023
B1-B2 phase transition mechanism and pathway of PbS under pressure
AA Adeleke, Y Yao
Journal of Chemical Physics 148 (10), 104503, 2018
82018
Prediction of a stable helium-hydrogen compound: First-principles simulations
AO Adeniyi, AA Adeleke, X Li, H Liu, Y Yao
Physical Review B 104 (2), 024101, 2021
62021
Stable BaCl solid at high pressure: Prediction and characterization using first principles approach
AA Adeleke, E Jossou, Y Yao
Journal of Applied Physics 122 (23), 2017
52017
Properties of alkaline-earth-metal polynitrogen ternary materials at high pressure
AA Adeleke, EE Jossou, NU Ukoji, AO Adeniyi, PO Egbele
ACS omega 5 (41), 26786-26794, 2020
42020
Analytical solution to fundamental Bloch NMR flow equations for non-zero porosity transformation parameter
AA Adeleke
International Journal of Theoretical and Mathematical Physics 6 (2), 86-91, 2016
22016
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