activity
20152023
most citedEvaluation of Phosphorene as Anode Material for Na-ion Batteries from First Principles

7 citations · 23 across the 8 of their papers we have counts for

collaborators

8 papers

cond-mat.mtrl-sci2023

Temperature-induced suppression of structural disproportionation in paramagnetic quantum materials

Himanshu Joshi, Mateusz Wlazło, Harshan Reddy Gopidi +1

With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the prop…

cond-mat.mtrl-sci2023

Understanding ice and water film formation on soil particles by combining DFT and Casimir-Lifshitz forces

M. Boström, S. Kuthe, S. Carretero-Palacios +7

Thin films of ice and water on soil particles play crucial roles in environmental and technological processes. Understanding the fundamental physical mechanisms underlying their fo…

cond-mat.mtrl-sci2023

A knob to tune the Casimir-Lifshitz force with gapped metals

M. Boström, M. Rizwan Khan, H. R. Gopidi +4

The Casimir-Lifshitz interaction, a long-range force that arises between solids and molecules due to quantum fluctuations in electromagnetic fields, has been widely studied in soli…

cond-mat.mtrl-sci2023

Optical Properties and Electronic Structures of Intrinsic Gapped Metals: Inverse Materials Design Principles for Transparent Conductors

Muhammad Rizwan Khan, Harshan Reddy Gopidi, Oleksandr I. Malyi

Traditional solid-state physics has long correlated the optical properties of materials with their electronic structures. However, recent discoveries of intrinsic gapped metals hav…

cond-mat.mtrl-sci20232 cited

The rise and fall of Mott insulating gaps in YNiO paramagnets as a reflection of symmetry breaking and remaking

Oleksandr I. Malyi, Alex Zunger

The YNiO nickelate is a paradigm d-electron oxide that manifests the intriguing temperature-mediated sequence of three phases transitions from (i) magnetically ordered insulato…

cond-mat.soft20167 cited

Effects of van der Waals forces and salt ions on the growth of water films on ice and the detachment of CO bubbles

P. Thiyam, E. R. A. Lima, O. I. Malyi +4

We study the effect of salts on the thickness of wetting films on melting ice and interactions acting on CO bubble near ice-water and vapor-water interfaces. Governing mechanis…