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First Principles

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Chemistry and movies grew up together through experimentation. The birth of filmmaking is intrinsically linked to advancements in scientific understanding in the 19th century. However, the path to modern moving pictures was afroth with an ever-changing image of chemistry both in real life and onscreen.
Dylan Riley
semanticscholar   +6 more sources

Atomistic Understanding of Two-dimensional Electrocatalysts from First Principles

Chemical Reviews, 2022
Two-dimensional electrocatalysts have attracted great interest in recent years for renewable energy applications. However, the atomistic mechanisms are still under debate.
Xunhua Zhao, Yuanyue Liu
exaly   +2 more sources

First principles phonon calculations in materials science [PDF]

open access: yesScripta Materialia, 2015
Phonon plays essential roles in dynamical behaviors and thermal properties, which are central topics in fundamental issues of materials science. The importance of first principles phonon calculations cannot be overly emphasized. Phonopy is an open source
Atsushi Togo, Isao Tanaka
exaly   +2 more sources

Biomechanics of clear aligners: hidden truths & first principles.

Journal of the World Federation of Orthodontists, 2021
Over the past two decades clear aligner-based treatment has received remarkableattention from the orthodontic profession and more so from general practitioners.Different companies have emerged using vigorous advertisement to promote theirproducts mainly ...
M. Upadhyay, S. Arqub
semanticscholar   +1 more source

The first-principles phase diagram of monolayer nanoconfined water

Nature, 2021
Water in nanoscale cavities is ubiquitous and of central importance to everyday phenomena in geology and biology. However, the properties of nanoscale water can be substantially different from those of bulk water, as shown, for example, by the ...
V. Kapil   +5 more
semanticscholar   +1 more source

First Principles

Electric and Hybrid Vehicle Technology International, 2023
Hazim Nada is the man behind Italy's new ultra-premium electric vehicle brand, Aehra. He tells us that despite electrification offering manufacturers the opportunity to rewrite the automotive design rulebook, many choose not to, and why Aehra is different.
openaire   +2 more sources

First-principles calculations for point defects in solids

Reviews of Modern Physics, 2014
Christoph Freysoldt   +2 more
exaly   +2 more sources

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