Results 11 to 20 of about 37,913 (175)

Dataset to support : FHI-aims benchmark for BEEF-vdW, vdW-DF2 and mBEEFvdW [PDF]

, 2023
We have performed a benchmark of the BEEF-vdW, mBEEF-vdW and vdW-DF2 implementations in the all-electron electronic structure code in FHIaims against the S22 benchmark ...
Janke, Svenja M., Maurer, Reinhard J., Logsdail, Andrew J.   +2 more
core   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics. [PDF]

Adv Sci (Weinh)
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Bai D, He R, Liu J, Kou L.
europepmc   +2 more sources

VdW-DF-ahcx: A range-separated van der Waals density functional hybrid [PDF]

, 2021
Hybrid density functionals replace a fraction of an underlying generalized-gradient approximation (GGA) exchange description with a Fock-exchange component.
Hyldgaard, Per, Frostenson, Carl Mikael,, Jiao, Yang, Shukla, Vivekanand,, Jiao, Yang,, Shukla, Vivekanand, Frostenson, Carl Mikael, Hyldgaard, Per,, Vivekanand Shukla, Per Hyldgaard, Carl M Frostenson, Yang Jiao   +11 more
core   +1 more source

Comparison of the Torsional Resistance of 4 Different Glide Path Instruments

, 2021
Introduction: The present study aimed to compare the torsional strength of the initial files of the Mtwo (VDW, Munich, Germany) and novel Rotate systems (VDW, Munich, Germany) with the ProGlider (Dentsply Sirona, Ballaigues, Switzerland) and R-Pilot (VDW)
Keskin, Cangul, Yilmaz, Ozlem Sivas, Aydemir, Hikmet, Özlem Sivas Yilmaz, Cangül Keskin, Hikmet Aydemir   +5 more
core   +1 more source

First-principle study of a vdW material: TiS2 [PDF]

, 2022
Van der Waals (vdW) solids have attracted great attention since the discovery of graphene, with the essential feature being the weak interlayer bonding.
Ricci, Matteo
core  

VdW Energy (E_vdW) and Electrostatic Energy (E_ele) between rhodojaponin III and CSPSlit.

, 2013
VdW Energy (EvdW) and Electrostatic Energy (Eele) between rhodojaponin III and CSPSlit.
Jinxiang Liu (301589), Xin Yi (180644), Yanbo Zhang (184664), Xiaolin Dong (301588), Guohua Zhong (129387), Meiying Hu (114346), Peng Geng (184661)   +6 more
core   +1 more source

vdW Interaction Strength (ε).

, 2014
vdW Interaction Strength (ε).
Andreas Heuer (295921), Davit Hakobyan (518803)   +1 more
core   +1 more source

Solution Synthesis of Layered van der Waals (vdW) Ferromagnetic CrGeTe₃ Nanosheets from a Non-vdW Cr₂Te₃Template

, 2020
CrGeTe3 has recently emerged as a new class of two-dimensional (2D) materials due to its intrinsic long-range ferromagnetic order. However, almost all the reported synthesis methods for CrGeTe3 nanosheets are based on the conventional mechanical ...
Huan Yang, Xiaohong Xu, Xiaohong Xu (180651), Lihong Guo, Fang Wang, Huisheng Zhang, Ding-Jiang Xue, Liyan Hu, Lanfang Wang, Huisheng Zhang (1552570), Huan Yang (36076), Fang Wang (105926), Liyan Hu (384103), Lihong Guo (383840), Lanfang Wang (759261), Ding-Jiang Xue (1467757)   +15 more
core   +1 more source

Proximity‐Tuned Magnetic and Transport Anomalies in All‐Epitaxial Fe5−xGeTe2/WSe2 Van der Waals Heterostructures

Advanced Functional Materials, EarlyView.
All‐epitaxial and scalable ferromagnetic/non‐magnetic Fe5−xGeTe2/WSe2 van der Waals (vdW) heterostructures exhibiting room‐temperature magnetism and perpendicular magnetic anisotropy (PMA) are realized. The system displays proximity‐tuned magnetic anisotropy, thickness‐dependent unconventional Hall effects, and temperature‐dependent sign reversal of ...
Hua Lv, Tauqir Shinwari, Kacho Imtiyaz Ali Khan, Jens Herfort, Chen Chen, Joan M. Redwing, Mehak Loyal, Gerhard Jakob, Mathias Kläui, Achim Trampert, Bernat Mundet, Belén Ballesteros, Manfred Ramsteiner, Roman Engel‐Herbert, Michael Hanke, João Marcelo J. Lopes   +15 more
wiley   +1 more source

Neuromorphic Electronics for Intelligence Everywhere: Emerging Devices, Flexible Platforms, and Scalable System Architectures

Advanced Materials, EarlyView.
The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj, Roshni Satheesh Babu, Yuxin Xia, Eva Bestelink, Radu Sporea, Nikos Hastas, Ioannis Zeimpekis, Dimitra G. Georgiadou, Sayani Majumdar   +8 more
wiley   +1 more source