6 papers · ranked by Valyu relevance
Emmanuel Ren, François-Xavier Coudert
Molecular adsorption in nanoporous materials has many large-scale industrial applications ranging from separation to storage. To design the best materials, computational simulations are key in guiding the experimentation and engineering processes. Because nanoporous materials exist in a plethora of forms, we need to…
Stanley Bram, Diego J. Orea, Graeme Lindsey, Soyu Zi + 5 more
The B cells of the human immune system have evolved somatic hypermutation (SHM) mechanisms that introduce mutations at the immunoglobulin genomic loci at a significantly higher frequency than the rest of the genome thereby allowing them to evolve antibody sequences without compromising fitness due to genome-wide…
Authors not listed
Heterogeneous and electrocatalysts play a crucial role in enabling various industrial chemical transformations, with quantum chemistry calculations serving as a fundamental tool for investigating their atomic-scale properties. Advances in computational power have facilitated the study of increasingly complex catalytic…
Siddhartha Sen, Tomas Ryan, David Muldowney, Maurizio Pezzoli
A special charged surface network with surface spin half particles on it, that can be arranged in topologically inequivalent ways, is introduced. It is shown that action potential-like signals can be generated in the network in response to local surface deformations of a particular kind. Signals generated in this way…
Felipe Coelho Argolo
Conant-Ashby’s (‘good regulator’) theorem states that a simple regulator of a system must behave as an image of it. Notably, evolutionary features present in living beings often mirror natural processes, yielding symmetries between biological structures and the external environment. For instance, nervous cells can…
Shomik Verma, Daniel Farrell, Rachel Evans
Luminescent solar concentrators (LSCs) are a promising technology to help integrate solar cells into the built environment, as they are colorful, semi-transparent, and can collect diffuse light. While LSCs have traditionally been cuboidal, in recent years a variety of unconventional geometries have arisen, for example…