Quantifying Atomic Volume, Partial Charge, and Electronegativity in Condensed Phases
Journal article, 2024
Author
Stefano Racioppi
Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry
Per Hyldgaard
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Martin Rahm
Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 128 9 4009-4017A framework for the physics-based estimation of tool wear in machining process (WEAR-FRAME)
VINNOVA (2020-05179), 2021-03-22 -- 2024-11-20.
Modern, icke-lokal täthetsfunktionalteori for material
Swedish Foundation for Strategic Research (SSF) (ITM17-0324), 2019-01-01 -- 2021-12-31.
Areas of Advance
Nanoscience and Nanotechnology
Materials Science
Roots
Basic sciences
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
Subject Categories
Atom and Molecular Physics and Optics
Theoretical Chemistry
Energy Systems
Condensed Matter Physics
DOI
10.1021/acs.jpcc.3c07677