HspB8 prevents aberrant phase transitions of FUS by chaperoning its folded RNA-binding domain

EE Boczek, J Fürsch, ML Niedermeier, L Jawerth… - Elife, 2021 - elifesciences.org
Aberrant liquid-to-solid phase transitions of biomolecular condensates have been linked to
various neurodegenerative diseases. However, the underlying molecular interactions that …

Code interoperability extends the scope of quantum simulations

M Govoni, J Whitmer, J de Pablo, F Gygi… - npj Computational …, 2021 - nature.com
The functionality of many materials is critically dependent on the integration of dissimilar
components and on the interfaces that arise between them. The description of such …

First-principles predictions of out-of-plane group IV and V dimers as high-symmetry, high-spin defects in hexagonal boron nitride

J Bhang, H Ma, D Yim, G Galli… - ACS Applied Materials & …, 2021 - ACS Publications
Hexagonal boron nitride (h-BN) has been recently found to host a variety of quantum point
defects, which are promising candidates as single-photon sources for solid-state quantum …

First-principles studies of strongly correlated states in defect spin qubits in diamond

H Ma, N Sheng, M Govoni, G Galli - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
Using a recently developed quantum embedding theory, we present first-principles
calculations of strongly correlated states of spin defects in diamond. Using this theory …

Spin–spin interactions in defects in solids from mixed all-electron and pseudopotential first-principles calculations

K Ghosh, H Ma, M Onizhuk, V Gavini… - npj Computational …, 2021 - nature.com
Understanding the quantum dynamics of spin defects and their coherence properties
requires an accurate modeling of spin-spin interaction in solids and molecules, for example …

Stability and decoherence analysis of the silicon vacancy in

T Fazio, I Deretzis, G Fisicaro, E Paladino, A La Magna - Physical Review A, 2024 - APS
The silicon vacancy (V Si) in 3 C-SiC is studied as a center of interest in the field of quantum
technologies, modeled as an electron spin (behaving as a two-state qubit in appropriate …

Multiconfiguration Pair-Density Functional Theory for Chromium (IV) Molecular Qubits

A Sauza-De La Vega, R Pandharkar, GD Stroscio… - JACS Au, 2022 - ACS Publications
Pseudotetrahedral organometallic complexes containing chromium (IV) and aryl ligands
have been experimentally identified as promising molecular qubit candidates. Here we …

Design for telecom-wavelength quantum emitters in silicon based on alkali-metal-saturated vacancy complexes

P Udvarhelyi, P Narang - ACS nano, 2024 - ACS Publications
Defect emitters in silicon are promising contenders as building blocks of solid-state quantum
repeaters and sensor networks. Here, we investigate a family of possible isoelectronic …

Single nuclear spin detection and control in a van der Waals material

X Gao, S Vaidya, K Li, S Dikshit, S Zhang, P Ju… - arxiv preprint arxiv …, 2024 - arxiv.org
Optically active spin defects in solids are leading candidates for quantum sensing and
quantum networking. Recently, single spin defects were discovered in hexagonal boron …

Theoretical and experimental study of the nitrogen-vacancy center in 4H-SiC

Y Zhu, B Kovos, M Onizhuk, D Awschalom, G Galli - Physical Review Materials, 2021 - APS
Using first-principles calculations and magnetic resonance experiments, we investigated the
physical properties of the negatively charged nitrogen-vacancy (NV) center in 4H-SiC, a …