99 citations
- California Institute of TechnologyUS9 papers
- Los Alamos National LaboratoryUS4 papers
- University of Maryland, College ParkUS4 papers
- Bhabha Atomic Research CentreIN3 papers
- Brookhaven National LaboratoryUS3 papers
- Charles UniversityCZ3 papers
- Columbia UniversityUS3 papers
- Lawrence Livermore National LaboratoryUS3 papers
- Oak Ridge National LaboratoryUS3 papers
- Yonsei UniversityKR3 papers
- Abilene Christian UniversityUS2 papers
- Advanced Science Research CenterJP2 papers
23 papers
Spin-flip optical excitations in van der Waals antiferromagnet CrPS
Dipankar Jana, Aljoscha Soll, Zdenek Sofer +4
We investigate the near-infrared optical response of the semiconducting van der Waals antiferromagnet CrPS and identify previously unreported spin-entangled optical resonances.…
Strain-Mediated Lattice Reconstruction Enhances Ferromagnetism in Cr2Ge2Te6/WTe2 van der Waals Heterobilayers
Franz Herling, Mireia Torres-Sala, Dorye L. Esteras +17
Van der Waals (vdW) heterostructures enable tailored electronic and magnetic phases by stacking atomically thin layers with pristine interfaces. Here, we investigate fully 2D Cr2Ge…
High-Pressure Structural Evolution of Na2ZrSi2O7 and Na2ZrSi2O7.H2O: Topology-Driven Compression Behaviors, Phase Stability, and Electronic Transitions
Peijie Zhang, Pablo Botella, Neha Bura +6
Silicate frameworks exhibit diverse structural responses under extreme conditions, which are strongly influenced by hydration. Here, we present a comparative high-pressure synchrot…
Predictive Free Energy Simulations Through Hierarchical Distillation of Quantum Hamiltonians
Chenghan Li, Garnet Kin-Lic Chan
Obtaining the free energies of condensed phase chemical reactions remains computationally prohibitive for high-level quantum mechanical methods. We introduce a hierarchical machine…
Quantum Simulation of Molecular Dynamics Processes -- A Benchmark Study Using Classical Simulator and Present-Day Quantum Hardware
Tamila Kuanysheva, Brian Kendrick, Lukasz Cincio +1
We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware av…
Cooperation and competition of basepairing and electrostatic interactions in mixtures of DNA nanostars and polylysine
Gabrielle R. Abraham, Tianhao Li, Anna Nguyen +2
Phase separation in biomolecular mixtures can result from multiple physical interactions, which may act either complementarily or antagonistically. In the case of protein-nucleic a…