Ab-initio Density-matrix Exascale-Parallelized Transport for Spin-Selectivity (ADEPTS)

Publications

The role of orbital polarization and spin-dependent electron-phonon scatterings in chiral-induced spin selectivity“, Mayank Gupta, Andrew Grieder,  Mayada Fadel, Jacopo Simoni, Junting Yu, Ravishankar Sundararaman*, and Yuan Ping*, submitted, (2025)

First-principles open quantum dynamics for solids based on density-matrix formalism”, Jacopo Simoni, Gabriele Riva, Yuan Ping*, invited perspective, under review, https://arxiv.org/abs/2504.17936,  (2025).

Spatio-temporal spin transport from first principles“,  Mayada Fadel, Joshua Quinton, Mani Chandra, Mayank Gupta, Yuan Ping∗,  and Ravishankar Sundararaman*, submitted, (2025) https://www.arxiv.org/pdf/2505.07745

Relation of Continuous Chirality Measure to Spin and Orbital Polarization, and Chiroptical Properties in Solids”, Andrew Grieder, Shihao Tu, Yuan Ping*, under review, https://arxiv.org/abs/2504.11596, (2025).

“Magnetic-field dependence of spin-phonon relaxation and dephasing due to g-factor fluctuations from first principles”J. Quinton, M. Fadel, J. Xu, A. Habib, M Chandra, Y. Ping*, R. Sundararaman*, Physical Review B, 111, 115113, (2025).

Spin Dynamics in Hybrid Halide Perovskites -Effect of Dynamical and Permanent Symmetry Breaking“, K. Li, J. Xu, U., R. Bodin, M. Gupta, C. Multunas, J. Simoni, R.Sundararaman, Z. V. Verdany, and Y. Ping*,  The Journal of Physical Chemistry Letters, accepted, (2024). https://arxiv.org/abs/2409.13200

How Spin Relaxes in Bulk Halide Perovskites, Junqing Xu, Kejun Li, Mayada Fadel,  Uyen N. Huynh, Jinsong Huang, Ravishankar Sundararaman*, Valy Vardeny*, and Yuan Ping*, Nature Communications, 15, 188, (2024). preprint: https://arxiv.org/abs/2210.17074

Circular Dichroism of Crystals from First Principles, Christian Multunas, Andrew Grieder, Junqing Xu,  Yuan Ping*, Ravishankar Sundararaman*, Physical Review Materials, 7, 123801, (2023), preprint: https://arxiv.org/abs/2303.02764

Prior to ADEPTS related to this project:

Ab-initio Predictions of Spin Relaxation, Dephasing and Diffusion in Solids”, Junqing Xu and Yuan Ping*, Journal of Chemical Theory and Computation, 20, 492, (2023), invited review.

Substrate effects on spin relaxation in two-dimensional  Dirac materials with strong spin-orbit coupling”, Junqing Xu* and Yuan Ping*, npj Computational Materials, 9, 47, (2023)

Room-Temperature Electrically Switchable Spin-Valley Coupling in a van der Waals Ferroelectric Halide Perovskite with Persistent Spin Helix, L. Zhang, J. Jiang, C. Multunas, C. Ming, Z. Chen, Y. Hu, Z. Lu, S. Pendse, R. Jia, M. Chandra, Y. Sun, T. Lu, Y. Ping*, R. Sundararaman*, J. Shi*, Nature Photonics, 16, 529, (2022).

“Electric Field and Substrates Dramatically Accelerate Spin Relaxation in Graphene”, A. HabibJ. Xu,Y. Ping*and R. Sundararaman*, Physical Review B, 105, 115122, (2022). preprint: arXiv:2012.11550 [cond-mat.mtrl-sci].

Giant Spin Lifetime Anisotropy and Spin-Valley Locking in Silicene and Germanene from First-Principles Density-Matrix Dynamics”, J. Xu, H. Takenaka, A. Habib, R. Sundararaman*, Y. Ping*, Nano Letters, 21, 9594, (2021).

Ab initio Ultrafast Spin Dynamics in Solids”, J. Xu, A. Habib, R. Sundararaman* and Y. Ping*, Physical Review B, 104, 184418, (2021). Editor’s Suggestions. Physics Magazine

Spin-phonon Relaxation from a Universal Ab initio Density-matrix Approach”, J. Xu, A. Habib, S. Kumar, F. Wu, R. Sundararaman*, and Y. Ping*, Nature Communications, 11, 2780, (2020). UCSC News ScienceDaily Phys.Org