November 29, 2021
Temperature- and vacancy-concentration-dependence of heat transport in Li3ClO from multi-method numerical simulations
Paolo Pegolo, Stefano Baroni, and Federico Grasselli
November 22, 2021
Interference effects in one-dimensional moiré crystals
Moiré patterns emerge when two repetitive structures are overlaid. This phenomenon is well known...
November 16, 2021
Edge-Mediated Annihilation of Vacancy Clusters in Monolayer Molybdenum Diselenide (MoSe2) under Electron Beam Irradiation
Annihilation of vacancy clusters in monolayer molybdenum diselenide (MoSe 2 ) under electron beam...
November 12, 2021
Manipulation of spin transport in graphene/transition metal dichalcogenide heterobilayers upon twisting
Proximity effects between layered materials trigger a plethora of novel and exotic quantum...
November 3, 2021
Thermal and Tidal Evolution of Uranus with a Growing Frozen Core
L. Stixrude, S. Baroni, and F. Grasselli
November 3, 2021
Validity of the on-site spin-orbit coupling approximation
R. Cuadrado, R. Robles, A. García, M. Pruneda, P. Ordejón, J. Ferrer, and Jorge I. Cerdá
November 3, 2021
Solution to the Modified Helmholtz Equation for Arbitrary Periodic Charge Densities
The authors present a general method for solving the modified Helmholtz equation without shape...
November 3, 2021
Thermal and Tidal Evolution of Uranus with a Growing Frozen Core
The origin of the very low luminosity of Uranus is unknown, as is the source of the internal tidal...
November 3, 2021
Validity of the on-site spin-orbit coupling approximation
Spin-orbit coupling (SOC) is generally understood as a highly localized interaction within each...
November 3, 2021
Substrate strain tunes operando geometric distortion and oxygen reduction activity of CuN2C2 single-atom sites
Single-atom catalysts are becoming increasingly significant to numerous energy conversion reactions...
October 19, 2021
Data-driven simulation and characterisation of gold nanoparticle melting
Read more on this new MaX paper here: https://chemistrycommunity.nature.com/posts/artificial-...
October 18, 2021
Data-driven simulation and characterisation of gold nanoparticle melting
C. Zeni, K. Rossi, T. Pavloudis, J. Kioseoglou, S. de Gironcoli, R. E. Palmer, and F. Baletto
October 18, 2021
Data-driven simulation and characterisation of gold nanoparticle melting
The simulation and analysis of the thermal stability of nanoparticles, a stepping stone towards...
October 15, 2021
Interference effects in one-dimensional moiré crystals
N. Wittemeier, M. J. Verstraete, P. Ordejón, and Z. Zanolli
October 15, 2021
Interference effects in one-dimensional moiré crystals
Interference effects in finite sections of one-dimensional moiré crystals are investigated using a...
October 6, 2021
Job Opportunity @ EPFL
An open position for a software engineer/web developer is available at EPFL (Lausanne, Switzerland), under the supervision of Prof. Nicola Marzari and Dr. Giovanni Pizzi.
September 27, 2021
Frequency dependence in GW made simple using a multi-pole approximation
D.A. Leon, C. Cardoso, T. Chiarotti, D. Varsano, E. Molinari, and A. Ferretti
September 27, 2021
Frequency dependence in GW made simple using a multi-pole approximation
In the GW approximation, the screened interaction W is a nonlocal and dynamical potential that...
September 16, 2021
Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials
Tommaso Chiarotti, Nicola Marzari, and Andrea Ferretti
September 14, 2021
Frequency dependence in GW made simple using a multi-pole approximation
In the context of condensed matter physics, many body perturbation theory (MBPT) provides accurate...
September 9, 2021
Coexistence of vortex arrays and surface capillary waves in spinning prolate superfluid 4 He nanodroplets
M. Pi, J. M. Escartín, F. Ancilotto, and M. Barranco
September 9, 2021
Coexistence of vortex arrays and surface capillary waves in spinning prolate superfluid 4 He nanodroplets
Within density functional theory, we have studied the interplay between vortex arrays and capillary...