# American Institute of Mathematical Sciences

January  2010, 6(1): 29-46. doi: 10.3934/jimo.2010.6.29

## A recursive topographical differential evolution algorithm for potential energy minimization

 1 School of Computational and Applied Mathematics, University of the Witwatersrand, Wits-2050, Johannesburg, South Africa

Received  February 2008 Revised  July 2009 Published  November 2009

The problem of the determination of the minimum energy configuration of an arrangement of $N$ point particles under the interaction of their interatomic forces is discussed. The interatomic force is described by a classical many body potential, namely the Tersoff potential for silicon. We propose a global optimization algorithm for minimization of energy of clusters of particles using Tersoff potential. The algorithm combines the topographical differential evolution (TDE) with the modified recursive procedure of the recursive differential evolution (RDE) algorithm. It also introduces an initialization procedure for the population set. Two important features of the new algorithm are that it makes use of the \lq graph minima' for local search, and that the initial population set is generated with low function values. The global minima of clusters consisting of up to 20 particles are investigated. The new algorithm is compared with a recent genetic algorithm.
Citation: M. Montaz Ali. A recursive topographical differential evolution algorithm for potential energy minimization. Journal of Industrial & Management Optimization, 2010, 6 (1) : 29-46. doi: 10.3934/jimo.2010.6.29
 [1] Abdulrazzaq T. Abed, Azzam S. Y. Aladool. Applying particle swarm optimization based on Padé approximant to solve ordinary differential equation. Numerical Algebra, Control & Optimization, 2021  doi: 10.3934/naco.2021008 [2] Eric Babson and Dmitry N. Kozlov. Topological obstructions to graph colorings. Electronic Research Announcements, 2003, 9: 61-68. [3] Hildeberto E. Cabral, Zhihong Xia. Subharmonic solutions in the restricted three-body problem. Discrete & Continuous Dynamical Systems - A, 1995, 1 (4) : 463-474. doi: 10.3934/dcds.1995.1.463 [4] Zhouxin Li, Yimin Zhang. Ground states for a class of quasilinear Schrödinger equations with vanishing potentials. Communications on Pure & Applied Analysis, 2021, 20 (2) : 933-954. doi: 10.3934/cpaa.2020298 [5] Rafael Luís, Sandra Mendonça. A note on global stability in the periodic logistic map. Discrete & Continuous Dynamical Systems - B, 2020, 25 (11) : 4211-4220. doi: 10.3934/dcdsb.2020094 [6] Lakmi Niwanthi Wadippuli, Ivan Gudoshnikov, Oleg Makarenkov. Global asymptotic stability of nonconvex sweeping processes. Discrete & Continuous Dynamical Systems - B, 2020, 25 (3) : 1129-1139. doi: 10.3934/dcdsb.2019212 [7] Rongchang Liu, Jiangyuan Li, Duokui Yan. New periodic orbits in the planar equal-mass three-body problem. Discrete & Continuous Dynamical Systems - A, 2018, 38 (4) : 2187-2206. doi: 10.3934/dcds.2018090 [8] Gheorghe Craciun, Abhishek Deshpande, Hyejin Jenny Yeon. Quasi-toric differential inclusions. Discrete & Continuous Dynamical Systems - B, 2021, 26 (5) : 2343-2359. doi: 10.3934/dcdsb.2020181 [9] Ardeshir Ahmadi, Hamed Davari-Ardakani. A multistage stochastic programming framework for cardinality constrained portfolio optimization. Numerical Algebra, Control & Optimization, 2017, 7 (3) : 359-377. doi: 10.3934/naco.2017023 [10] Luke Finlay, Vladimir Gaitsgory, Ivan Lebedev. Linear programming solutions of periodic optimization problems: approximation of the optimal control. Journal of Industrial & Management Optimization, 2007, 3 (2) : 399-413. doi: 10.3934/jimo.2007.3.399 [11] Carlos Gutierrez, Nguyen Van Chau. A remark on an eigenvalue condition for the global injectivity of differentiable maps of $R^2$. Discrete & Continuous Dynamical Systems - A, 2007, 17 (2) : 397-402. doi: 10.3934/dcds.2007.17.397 [12] Bernold Fiedler, Carlos Rocha, Matthias Wolfrum. Sturm global attractors for $S^1$-equivariant parabolic equations. Networks & Heterogeneous Media, 2012, 7 (4) : 617-659. doi: 10.3934/nhm.2012.7.617 [13] Manoel J. Dos Santos, Baowei Feng, Dilberto S. Almeida Júnior, Mauro L. Santos. Global and exponential attractors for a nonlinear porous elastic system with delay term. Discrete & Continuous Dynamical Systems - B, 2021, 26 (5) : 2805-2828. doi: 10.3934/dcdsb.2020206 [14] Jaume Llibre, Luci Any Roberto. On the periodic solutions of a class of Duffing differential equations. Discrete & Continuous Dynamical Systems - A, 2013, 33 (1) : 277-282. doi: 10.3934/dcds.2013.33.277 [15] Nizami A. Gasilov. Solving a system of linear differential equations with interval coefficients. Discrete & Continuous Dynamical Systems - B, 2021, 26 (5) : 2739-2747. doi: 10.3934/dcdsb.2020203 [16] Hong Seng Sim, Wah June Leong, Chuei Yee Chen, Siti Nur Iqmal Ibrahim. Multi-step spectral gradient methods with modified weak secant relation for large scale unconstrained optimization. Numerical Algebra, Control & Optimization, 2018, 8 (3) : 377-387. doi: 10.3934/naco.2018024 [17] Mohsen Abdolhosseinzadeh, Mir Mohammad Alipour. Design of experiment for tuning parameters of an ant colony optimization method for the constrained shortest Hamiltonian path problem in the grid networks. Numerical Algebra, Control & Optimization, 2021, 11 (2) : 321-332. doi: 10.3934/naco.2020028 [18] Reza Lotfi, Yahia Zare Mehrjerdi, Mir Saman Pishvaee, Ahmad Sadeghieh, Gerhard-Wilhelm Weber. A robust optimization model for sustainable and resilient closed-loop supply chain network design considering conditional value at risk. Numerical Algebra, Control & Optimization, 2021, 11 (2) : 221-253. doi: 10.3934/naco.2020023 [19] Wolf-Jüergen Beyn, Janosch Rieger. The implicit Euler scheme for one-sided Lipschitz differential inclusions. Discrete & Continuous Dynamical Systems - B, 2010, 14 (2) : 409-428. doi: 10.3934/dcdsb.2010.14.409 [20] Xianming Liu, Guangyue Han. A Wong-Zakai approximation of stochastic differential equations driven by a general semimartingale. Discrete & Continuous Dynamical Systems - B, 2021, 26 (5) : 2499-2508. doi: 10.3934/dcdsb.2020192

2019 Impact Factor: 1.366