This manuscript revisits the phenomenological emergent dark energy model (PEDE) by
confronting it with recent cosmological data from early and late times. In particular we …

We present a first-principles investigation of the structural, electronic, and magnetic
properties of the pristine and Fe-doped α-MnO2 using density-functional theory with …

Accurate first-principles predictions of the structural, electronic, magnetic, and
electrochemical properties of cathode materials can be key in the design of novel efficient Li …

Two-dimensional materials represent a major frontier for research into exotic many-body
quantum phenomena. In the extreme two-dimensional limit, electron-electron interaction …

Diamond laser engineering is of great importance for designing devices, which find
applications in radiation sensing and quantum technologies. A review of the present state of …

Machine learning is used to generate empirical pseudopotentials that characterize the local
screened interactions in the Kohn-Sham Hamiltonian. Our approach incorporates …

A first-principles computational method with self-consistent on-site and intersite Hubbard
functionals is able to treat local and nonlocal Coulomb interactions on an equal footing. To …

Using ab initio approaches for extended Hubbard interactions coupled to phonons, we
reveal that the intersite Coulomb interaction plays important roles in determining various …

Rhombohedral multilayer graphene (RnG) featuring partially flat bands has emerged as an
important platform to probe strong Coulomb correlation effects. Theoretical consideration of …

We study the lattice dynamics of antiferromagnetic transition-metal oxides by using self-
consistent Hubbard functionals. We calculate the ground states of the oxides with the on-site …