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Emergence of threefold symmetric helical photocurrents in epitaxial low twinn...
We present evidence of a strong circular photon drag effect (PDE) in topological insulators (TIs) through the observation of threefold rotationally symmetric helicity-dependent... -
Biomimetic high performance artificial muscle built on sacrificial coordinati...
Artificial muscle materials promise incredible applications in actuators, robotics and medical apparatus, yet the ability to mimic the full characteristics of skeletal muscles... -
Phase equilibrium of liquid water and hexagonal ice from enhanced sampling mo...
We study the phase equilibrium between liquid water and ice Ih modeled by the TIP4P/Ice interatomic potential using enhanced sampling molecular dynamics simulations. Our... -
Phase-field investigation of lithium electrodeposition under different applie...
Despite the high promise of Li-metal-based batteries, its commercialization has been hampered due to the formation of dendrites that lead to mechanical instability, energy loss... -
Fixed node diffusion Monte Carlo energies for over one thousand small organic...
In the past decade, quantum diffusion Monte Carlo (DMC) has been demonstrated to successfully predict the energetics and properties of a wide range of molecules and solids by... -
Fixed node diffusion Monte Carlo energies for over one thousand small organic...
In the past decade, quantum diffusion Monte Carlo (DMC) has been demonstrated to successfully predict the energetics and properties of a wide range of molecules and solids by... -
Delta project — archive of old website
The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each... -
Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics i...
Understanding the dynamical processes that govern the performance of functional materials is essential for the design of next generation materials to tackle global energy and... -
Variational dynamics as a ground-state problem on a quantum computer
We propose a variational algorithm to study the real time dynamics of quantum systems as a ground-state problem on quantum devices. The method is based on the original proposal... -
Atomistic simulations reveal strength reductions due to short-range order in ...
A theory for strengthening for multicomponent non-dilute alloys possessing short-range order (SRO) has recently been developed. The theory predicts that, in addition to a... -
Hierarchical short- and medium-range order structures in amorphous Ge_x Se_1–...
In the upcoming process to overcome the limitations of the standard von Neumann architecture, synaptic electronics is gaining a primary role for the development of in-memory... -
Designing Singlet Fission Candidates from Donor-Acceptor Copolymers
Singlet Fission (SF) has demonstrated significant promise for boosting the power conversion efficiency (PCE) of solar cells. Traditionally, SF is targeted as an intermolecular... -
Design of high-mobility p-type GaN via the piezomobility tensor
<p>Gallium nitride (GaN) is a wide-bandgap semiconductor of significant interest for applications in solid-state lighting, power electronics, and radio-frequency... -
cell2mol: encoding chemistry to interpret crystallographic data
The creation and maintenance of crystallographic data repositories is one of the greatest data-related achievements in chemistry. Platforms such as the Cambridge Structural... -
Topological frustration induces unconventional magnetism in a nanographene
The chemical versatility of carbon imparts manifold properties to organic compounds, where magnetism remains one of the most desirable but elusive. Polycyclic aromatic... -
Rare-earth atoms on Nb(110) as a platform to engineer topological superconduc...
Our study reveals how Gd adatoms and dimers on a superconducting Nb(110) surface induce Yu-Shiba-Rusinov (YSR) states, offering valuable insights into magnetic interactions of... -
Emergence of nontrivial low-energy Dirac fermions in antiferromagnetic EuCd2As2
When magnetism meets topology, colorful novel states can be created in materials. The realization of magnetic topological Dirac materials remains a major issue in topological... -
Data-driven design of metal-organic frameworks for wet flue gas CO2 capture
In this entry is a database of 324,426 hypothetical Metal-Organic Frameworks (MOFs) that were used in a study to screen potential carbon dioxide scrubbers. Using a method to... -
Characterization of single in situ prepared interfaces composed of niobium an...
With increasing interest in Majorana physics for possible quantum bit applications, a large interest has been developed to understand the properties of the interface between a... -
Single in-situ interface characterization composed of niobium and a selective...
With increasing interest in Majorana physics for possible quantum bit applications, a large interest has been developed to understand the properties of the interface between a...
