Results 11 to 20 of about 1,053,365 (324)
Journal of High Energy Physics, 2015 We apply the quantum renormalization group to construct a holographic dual for the U(N) vector model for complex bosons defined on a lattice. The bulk geometry becomes dynamical as the hopping amplitudes which determine connectivity of space are promoted
Bhattacharjee, Subhro +5 more
core +6 more sources
Journal of Physics: Condensed Matter, 2014 RNA molecules are essential cellular machines performing a wide variety of functions for which a specific three-dimensional structure is required. Over the last several years, experimental determination of RNA structures through X-ray crystallography and
Cragnolini, Tristan +2 more
core +3 more sources
Ab Initio Nuclear Thermodynamics [PDF]
Physical Review Letters, 2020 5 pages main text, 9 pages supplemental ...
Bing-Nan Lu +7 more
openaire +5 more sources
Accurate evaluation of combustion enthalpy by ab-intio computations
Scientific Reports, 2022 Accurate evaluation of combustion enthalpy is of high scientific and industrial importance. Although ab-initio computation of the heat of reactions is one of the promising and well-established approaches in computational chemistry, reliable and precise ...
Amin Alibakhshi, Lars V. Schäfer
doaj +1 more source
Ab Initio Simulations of Water/Metal Interfaces.
Chemical Reviews, 2022 Structures and processes at water/metal interfaces play an important technological role in electrochemical energy conversion and storage, photoconversion, sensors, and corrosion, just to name a few. However, they are also of fundamental significance as a
A. Gross, S. Sakong
semanticscholar +1 more source
Ab initio artificial intelligence: Future research of Materials Genome Initiative
Materials Genome Engineering Advances, 2023 The marriage of artificial intelligence (AI) and Materials Genome Initiative (MGI) could profoundly change the landscape of modern materials research, leading to a new paradigm of data‐driven and AI‐driven materials discovery.
He Li, Yong Xu, Wenhui Duan
doaj +1 more source
The SIESTA method for ab initio order-N materials simulation [PDF]
, 2001 We have developed and implemented a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals.
José M. Soler +7 more
semanticscholar +1 more source
Ab initio quantum models for thin-film x-ray cavity QED
Physical Review Research, 2020 We develop two ab initio quantum approaches to thin-film x-ray cavity quantum electrodynamics with spectrally narrow x-ray resonances, such as those provided by Mössbauer nuclei.
Dominik Lentrodt +3 more
doaj +1 more source
Scientific Reports, 2023 One of the fundamental quantities in dynamics of the liquid state, the adiabatic speed of sound $$c_s$$ c s , is extremely difficult to predict from computer simulations, especially in ab initio simulations.
Taras Bryk +2 more
doaj +1 more source
Evaluating high-throughput ab initio gene finders to discover proteins encoded in eukaryotic pathogen genomes missed by laboratory techniques. [PDF]
PLoS ONE, 2012 Next generation sequencing technology is advancing genome sequencing at an unprecedented level. By unravelling the code within a pathogen's genome, every possible protein (prior to post-translational modifications) can theoretically be discovered ...
Stephen J Goodswen +2 more
doaj +1 more source