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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{ Computational Condensed Matter Club } retweeted
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/softwa…
👉 paesanigroup.ucsd.edu/softwa…
{ Computational Condensed Matter Club } retweeted
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.org/10.1… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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/D1NR00106J #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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/PhysRevLett.… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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/PhysRevResea… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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/PhysRevB.104… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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.mtener.202… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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.nanolett… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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.2021009… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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.physb.2021… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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.apsusc.202… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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/PhysRevB.103… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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/PhysRevB.103… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
New #condmat #compchem work using #PseudoDojo pseudopotentials: Deep-Learning Approach to First-Principles Transport Simulations by Bürkle et al. doi.org/10.1103/PhysRevLett.… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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.cplett.202… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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/PhysRevB.103… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
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/PhysRevLett.… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
New #condmat #compchem work using #PseudoDojo pseudopotentials: Thermal effect of epilayer on phonon transport of semiconducting heterostructure interfaces by Huang et al. doi.org/10.1016/j.ijheatmass… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
New #condmat #compchem work using #PseudoDojo pseudopotentials: Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors by Xia et al. doi.org/10.1021/acs.jpclett.… #CCMC @CompCondMat
{ Computational Condensed Matter Club } retweeted
New #condmat #compchem work using #PseudoDojo pseudopotentials: Assessing the role of quantum effects in two-dimensional heterophase MoTe2 field effect transistors by Jelver et al. doi.org/10.1103/PhysRevB.104… #CCMC @CompCondMat