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4 papers
Spin-orbit coupling and beyond in Chiral-Induced Spin Selectivity
Ruggero Sala, Sushant Kumar Behera, Abhirup Roy Karmakar +3
Chiral-Induced Spin Selectivity (CISS) describes the emergence of spin-polarized electron transport in chiral systems without magnetic fields, a remarkable effect in light-element…
Adaptive quantum dynamics with the time-dependent variational Monte Carlo method
Raffaele Salioni, Rocco Martinazzo, Davide Emilio Galli +1
We introduce an extension of the time-dependent variational Monte Carlo (tVMC) method that adaptively controls the expressivity of the variational quantum state during the simulati…
Precise Quantum Chemistry calculations with few Slater Determinants
Clemens Giuliani, Jannes Nys, Rocco Martinazzo +2
Slater determinants have underpinned quantum chemistry for nearly a century, yet their full potential has remained challenging to exploit. In this work, we show that a variational…
Relativistic Dynamics and Electron Transport in Isolated Chiral Molecules
Sushant Kumar Behera, Ruggero Sala, Abhirup Roy Karmakar +3
The Chirality-Induced Spin Selectivity (CISS) effect describes the ability of chiral molecules and crystals to transmit spin-polarized currents, a phenomenon first identified in 19…