102 citations · 219 across the 3 of their papers we have counts for
4 papers
Revised Periodic Boundary Conditions: Fundamentals, Electrostatics, and the Tight-Binding Approximation
Oleg O. Kit, Lars Pastewka, Pekka Koskinen
Many nanostructures today are low-dimensional and flimsy, and therefore get easily distorted. Distortion-induced symmetry-breaking makes conventional, translation-periodic simulati…
Twisting Graphene Nanoribbons into Carbon Nanotubes
O. O. Kit, T. Tallinen, L. Mahadevan +2
Although carbon nanotubes consist of honeycomb carbon, they have never been fabricated from graphene directly. Here, it is shown by quantum molecular-dynamics simulations and class…
Approximate Modeling of Spherical Membrane
Pekka Koskinen, Oleg O. Kit
Spherical symmetry is ubiquitous in nature. It's therefore unfortunate that spherical system simulations are so hard, and require complete spheres with millions of interacting part…
Efficient approach for simulating distorted materials
Pekka Koskinen, Oleg O. Kit
The operation principles of nanoscale devices are based upon both electronic and mechanical properties of materials. Because these properties can be coupled, they need to be invest…