{ Computational Condensed Matter Club } @CompCondMat
A feed for the condensed matter, chemical physics and materials communities with a dedicated focus on theory and computation! La Jolla, San Diego Joined September 2018-
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Also, it's cool to learn some folks got excited when they would see their work as a "#CoffeeRead on CompCondMat. That's super cool, because I get super excited when I see our work on other #compchem blogs. Crazy that I started this to share my heroes' papers, & now I met them.
1st tweet in a while. I started this account for fun when I was in my ~2nd yr of undergrad in Mexico. I did not major in chemistry, but I made it to somehow engage with the #compchem community as well as condensed matter physics. Now tweeting this from #WATOC2020. We're out here!
Francesco presented our recent progress in the development and application of #datadriven #manybody models at the #AiChE meeting in Boston. Do you want to try them out? Please check out our #MBX and #MBFit #compchem software: 👉 paesanigroup.ucsd.edu/software/mbx.h… 👉 paesanigroup.ucsd.edu/software/mb-fi…
Congratulations to @quantum_winger and Teri for leading their latest paper! "Elevating density functional theory to chemical accuracy for water through a density-corrected many-body formalism" now in @NatureComms! Great work from the @PaesaniLab #compchem #condmat check it out 🔥
Hot off the press! In @NatureComms, we present #compchem density-corrected SCAN (DC-SCAN) calculations for #water which, minimizing density-driven errors, elevate the accuracy of the SCAN functional to that of “gold standard” #CoupledCluster theory. 👉 doi.org/10.1038/s41467… 1/5
New #condmat #compchem work using #PseudoDojo pseudopotentials: Light–matter interaction of a molecule in a dissipative cavity from first principles by Wang et al. doi.org/https://doi.or… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Conductance switching of azobenzene-based self-assembled monolayers on cobalt probed by UHV conductive-AFM by Thomas et al. doi.org/10.1039/D1NR00… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Phonon Screening of Excitons in Semiconductors: Halide Perovskites and Beyond by Filip et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Band gaps of liquid water and hexagonal ice through advanced electronic-structure calculations by Bischoff et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Ab initio study of lattice dynamics of group IV semiconductors using pseudohybrid functionals for extended Hubbard interactions by Yang et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Insights into the impact of Mn-doped inorganic CsPbBr3 perovskite on electronic structures and magnetism for photovoltaic application by Kanoun et al. doi.org/10.1016/j.mten… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Gate Control of Spin-Layer-Locking FETs and Application to Monolayer LuIO by Zhang et al. doi.org/10.1021/acs.na… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: The Influence of Pressure on Structural, Elastic, Piezoelectric and Dielectric Properties of R3c‐BiAlO3 Based on Ab Initio Calculations by Almaghbash et al. doi.org/10.1002/slct.2… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo: The effect of hydrostatic pressure on structural, piezoelectric and dielectric properties of wurtzite and zinc-blende BeO crystals with DFT-DFPT calculations by Almaghbash et al. doi.org/10.1016/j.phys… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Enhanced properties of covalently coupled borophene-graphene layers through fluorination and hydrogenation by Kochaev et al. doi.org/10.1016/j.apsu… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Hot electron cooling in InSb probed by ultrafast time-resolved terahertz cyclotron resonance by Xia et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Comment on “Ab initio calculation of the shift photocurrent by Wannier interpolation” by Lihm et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Deep-Learning Approach to First-Principles Transport Simulations by Bürkle et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Kagome phosphorene molecular device for sensing chloropicrin and phosgene – A first-principles study by Princy et al. doi.org/10.1016/j.cple… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Gauge invariance of light-matter interactions in first-principle tight-binding models by Schüler et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat
New #condmat #compchem work using #PseudoDojo pseudopotentials: Intrinsic Vibrational Angular Momentum from Nonadiabatic Effects in Noncollinear Magnetic Molecules by Bistoni et al. doi.org/10.1103/PhysRe… #CCMC @CompCondMat
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