works on

From the 1 of 75 papers with an AI index.

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20022020
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2019Show all

15 papers · 1 filter

astro-ph.HE2019132 cited

A Unified Mechanism for Unconfined Deflagration-to-Detonation Transition in Terrestrial Chemical Systems and Type Ia Supernovae

Alexei Y. Poludnenko, Jessica Chambers, Kareem Ahmed +2

The nature of type Ia supernovae (SNIa) - thermonuclear explosions of white dwarf stars - is an open question in astrophysics. Virtually all existing theoretical models of normal,…

cond-mat.soft20196 cited

Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems

Javier Diaz, Marco Pinna, Andrei V. Zvelindovsky +1

Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological change…

cond-mat.mtrl-sci201939 cited

A 3D phase field dislocation dynamics model for body-centered cubic crystals

Xiaoyao Peng, Nithin Mathew, Irene J. Beyerlein +2

In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of…

cond-mat.soft201915 cited

Local symmetry determines the phases of linear chains: a simple model for the self-assembly of peptide

Tatjana Skrbic, Trinh X. Hoang, Amos Maritan +2

We discuss the relation between the emergence of new phases with broken symmetry within the framework of simple models of biopolymers. We start with a classic model for a chain mol…

physics.plasm-ph201915 cited

Ion friction at small values of the Coulomb logarithm

Tucker Sprenkle, Adam Dodson, Quinton McKnight +4

Transport properties of high-energy-density plasmas are influenced by the ion collision rate. Traditionally, this rate involves the Coulomb logarithm, . Typical values of $\l…

cond-mat.mtrl-sci2019212 cited

Novel MAB phases and insights into their exfoliation into 2D MBenes

Mohammad Khazaei, Junjie Wang, Mehdi Estili +5

Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D) materials from layered bulk structures, ternary layered transition metal borides, known as MAB p…