A robust and memory-efficient transition state search method for complex energy landscapes (2022)
Journal Article
Avis, S. J., Panter, J. R., & Kusumaatmaja, H. (2022). A robust and memory-efficient transition state search method for complex energy landscapes. The Journal of Chemical Physics, 157(12), Article 124107. https://doi.org/10.1063/5.0102145

Locating transition states is crucial for investigating transition mechanisms in wide-ranging phenomena, from atomistic to macroscale systems. Existing methods, however, can struggle in problems with a large number of degrees of freedom, on-the-fly a... Read More about A robust and memory-efficient transition state search method for complex energy landscapes.

Tailoring the multistability of origami-inspired, buckled magnetic structures via compression and creasing (2021)
Journal Article
Li, Y., Avis, S. J., Zhang, T., Kusumaatmaja, H., & Wang, X. (2021). Tailoring the multistability of origami-inspired, buckled magnetic structures via compression and creasing. Materials Horizons, 8(12), 3324-3333. https://doi.org/10.1039/d1mh01152a

Origami-inspired multistable structures are gaining increasing interest because of their potential applications in fields ranging from deployable structures to reconfigurable microelectronics. The multistability of such structures is critical for the... Read More about Tailoring the multistability of origami-inspired, buckled magnetic structures via compression and creasing.

Reconfiguration of multistable 3D ferromagnetic mesostructures guided by energy landscape surveys (2021)
Journal Article
Li, Y., Avis, S. J., Chen, J., Wu, G., Zhang, T., Kusumaatmaja, H., & Wang, X. (2021). Reconfiguration of multistable 3D ferromagnetic mesostructures guided by energy landscape surveys. Extreme Mechanics Letters, 48, Article 101428. https://doi.org/10.1016/j.eml.2021.101428

Three-dimensional (3D) mesostructures that can reversibly change their geometries and thereby their functionalities are promising for a wide range of applications. Despite intensive studies, the lack of fundamental understanding of the highly nonline... Read More about Reconfiguration of multistable 3D ferromagnetic mesostructures guided by energy landscape surveys.

Predicting Hemiwicking Dynamics on Textured Substrates (2020)
Journal Article
Natarajan, B., Jaishankar, A., King, M., Oktasendra, F., Avis, S. J., Konicek, A. R., …Yeganeh, M. S. (2021). Predicting Hemiwicking Dynamics on Textured Substrates. Langmuir, 37(1), 188-195. https://doi.org/10.1021/acs.langmuir.0c02737

The ability to predict liquid transport rates on textured surfaces is key to the design and optimization of devices and processes such as oil recovery, coatings, reaction-separation, high-throughput screening, and thermal management. In this work we... Read More about Predicting Hemiwicking Dynamics on Textured Substrates.

OpenLB—Open source lattice Boltzmann code (2020)
Journal Article
Krause, M. J., Kummerländer, A., Avis, S. J., Kusumaatmaja, H., Dapelo, D., Klemens, F., …Simonis, S. (2021). OpenLB—Open source lattice Boltzmann code. Computers and Mathematics with Applications, 81, 258-288. https://doi.org/10.1016/j.camwa.2020.04.033

We present the OpenLB package, a C++ library providing a flexible framework for lattice Boltzmann simulations. The code is publicly available and published under GNU GPLv2, which allows for adaption and implementation of additional models. The extens... Read More about OpenLB—Open source lattice Boltzmann code.