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20122026
most citedMethane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study

140 citations

Showing 2024Show all

7 papers · 1 filter

cond-mat.mtrl-sci2024★ 3 cited

Heterostructure Engineering for Wurtzite LaN

Andrew J. E. Rowberg, Sai Mu, Chris G. Van de Walle

Wurtzite LaN (wz-LaN) is a semiconducting nitride with favorable piezoelectric and ferroelectric properties, making it promising for applications in electronics. We use first-princ…

hep-lat2024★ 5 cited

Entanglement Properties of SU(2) Gauge Theory

Lukas Ebner, Berndt Müller, Andreas Schäfer +3

We review recent and present new results on thermalization of nonabelian gauge theory obtained by exact numerical simulation of the real-time dynamics of -dimensional SU(2)…

quant-ph2024★ 33 cited

Rapid initial state preparation for the quantum simulation of strongly correlated molecules

Dominic W. Berry, Yu Tong, Tanuj Khattar +8

Studies on quantum algorithms for ground state energy estimation often assume perfect ground state preparation; however, in reality the initial state will have imperfect overlap wi…

cond-mat.str-el2024★ 1 cited

Generalized Josephson effect with arbitrary periodicity in quantum magnets

Anshuman Tripathi, Felix Gerken, Peter Schmitteckert +3

Easy-plane quantum magnets are strikingly similar to superconductors, allowing for spin supercurrent and an effective superconducting phase stemming from their rotation symm…

physics.chem-ph2024★ 13 cited

A general framework for active space embedding methods: applications in quantum computing

Stefano Battaglia, Max Rossmannek, Vladimir V. Rybkin +2

We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and envi…

quant-ph2024★ 3 cited

Demonstration of system-bath physics on a gate-based quantum computer

Pascal Stadler, Matteo Lodi, Andisheh Khedri +5

Algorithmic cooling can be used to find correlated states of many-body quantum systems. It is based on quantum circuits that perform nonunitary operations, whose implementation can…