activity
20202026
most citedINQ, a modern GPU-accelerated computational framework for (time-dependent) density functional theory

2 citations · 2 across the 8 of their papers we have counts for

collaborators

12 papers

cond-mat.mtrl-sci2026

Symmetry-selective nonrelativistic spin splitting in antiferromagnets driven by coherent phonons

Sangeeta Rajpurohit, Mohsen Yarmohammadi, Sheikh Rubaiat Ul Haque +3

Nonrelativistic spin splitting (NRSS) in antiferromagnets (AFMs) enables magnetization-free spin polarization for ultrafast spintronics. Here, we demonstrate that coherent phonons…

cond-mat.str-el2026

Non-magnetic insulating phase induced by Jahn-Teller effect in RNiO

Sangeeta Rajpurohit, Liang Z. Tan, Tadashi Ogitsu +1

We propose a three-dimensional multi-orbital tight-binding model for rare-earth nickelates RNiO that treats charge, spin, orbital, and lattice degrees of freedom on equal footi…

cond-mat.str-el2026

Photoinduced orbital polarization and Jahn-Teller effect in RNiO

Sangeeta Rajpurohit, Sheikh Rubaiat Ul Haque, Aaron M. Lindenberg +2

The orbital degree of freedom in rare-earth nickelates is typically inactive across the temperature-driven metal-insulator transition, where the system develops two inequivalent Ni…

cond-mat.mtrl-sci2026

The CP-PAW code package for first-principles calculations from a user's perspective

Peter E. Blöchl, Robert Schade, Lukas Allen-Rump +5

CP-PAW is a combined electronic structure and ab-initio molecular dynamics code to perform mixed quantum and classical simulations of atomistic condensed phase systems, such as sol…

cond-mat.str-el2025

Terahertz field-induced giant symmetry modulations in a van der Waals antiferromagnet

Sheikh Rubaiat Ul Haque, Martin J. Cross, Sangeeta Rajpurohit +19

Strong-field terahertz (THz) excitations enable dynamic control over electronic, lattice and symmetry degrees of freedom in quantum materials. Here, we uncover pronounced terahertz…

cond-mat.str-el2025

Elementary Steps of Energy Conversion in Strongly Correlated Systems: Beyond Single Quasiparticles and Rigid Bands

V. Moshnyaga, Ch. Jooss, P. E. Blöchl +12

Energy conversion in materials can be considered as a sequence of elementary steps initiated by a primary excitation. While these steps are quite well understood in classical semic…