The DFTB method, as well as its self-consistent charge corrected variant SCC-DFTB, has widened the range of applications of fundamentally well established theoretical tools. As an approximate ...
Synthetic active biomaterials are valuable tools to explore and understand the organization and dynamics of complex living systems. Proposed theories face limitations in their use since they are based ...
Despite the large demand for dental restoration each year, the design of crown restorations is mainly performed via manual software operation, which is tedious and subjective. Moreover, the current ...
(1) Scuola Internazionale Superiore di Studi Avanzati E-mail: ngiuliani@sissa.it (2) Scuola Internazionale Superiore di Studi Avanzati E-mail: andrea.mola@sissa.it (3) Scuola Internazionale Superiore ...
This article summarizes recent work on the many-body (beyond density functional theory) electronic structure of layered rare-earth nickelates, both in the context of the materials themselves and in ...
FDINT is a free, open-source python package that provides fast, double precision (64-bit floating point) approximations to the Fermi-Dirac integrals of integer and half integer order, based on the ...
A spin-adapted configuration interaction with singles method that is based on a restricted open-shell reference function (ROCIS) with general total spin S is presented. All excited configuration state ...
We have used X-ray diffraction on the rhombohedral phospholipid phase to reconstruct stalk structures in different pure lipids and lipid mixtures with unprecedented resolution, enabling a quantitative ...
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