sub-field of computational materials science is integrated computational materials engineering (ICME), which seeks to use computational results and methods...

Materials science is an interdisciplinary field of researching and discovering materials. Materials engineering is an engineering field of finding uses...

Computational Materials Science is a monthly peer-reviewed scientific journal published by Elsevier. It was established in October 1992. The editor-in-chief...

Computational science, also known as scientific computing, technical computing or scientific computation (SC), is a division of science, and more specifically...

Integrated Computational Materials Engineering (ICME) is an approach to design products, the materials that comprise them, and their associated materials processing...

Annual Review of Materials Research APL Materials Bulletin of Materials Science Carbon Chemistry of Materials Computational Materials Science Crystal Growth...

Advancement of Science (AAAS) and the American Physical Society (APS). She has served as editor-in-chief of the journal Computational Materials Science since 2014...

for data-driven materials design and Materials informatics. He is also an associate editor of the journals npj Computational Materials and Scientific Data...

"The AFLOW Library of Crystallographic Prototypes: Part 1". Computational Materials Science. 136: S1-S828. arXiv:1806.07864. doi:10.1016/j.commatsci.2017...

Computational thinking (CT) refers to the thought processes involved in formulating problems so their solutions can be represented as computational steps...

application of a computational materials science approach to understand functional material properties in biological and synthetic materials, specifically...

Clarkson University in 1987. He has contributed to research in computational materials science, particularly on Marangoni Effect in solidification processes...

enabled by using computational methods. It is the area of computational science (or scientific computing) specific to the mathematical science of statistics...

Computational thermodynamics is the use of computers to simulate thermodynamic problems specific to materials science, particularly used in the construction...

"new kind of science" is the study of simple abstract rules—essentially, elementary computer programs. In almost any class of a computational system, one...

and design of nanoscale materials. It is co-located with Spallation Neutron Source. The Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National...

dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties. Examples...

Applied Sciences at Harvard University. He is recognized for his research contributions to computational materials science and computational chemistry...

is an expert in computational density functional theory in chemical physics, and its application in computational materials science predicting the bulk...

head of the Computational Materials Science Group at Daresbury Laboratory. In 2000 he became the Professor of Computational Materials Science at Imperial...

Progress in Optics Computational Materials Science Computer Physics Communications International Journal of Modern Physics C (computational physics, physical...

year. The journal covers computational materials science including properties, structure, and behavior of all classes of materials at scales from the atomic...

composite material (also composition material) is a material which is produced from two or more constituent materials. These constituent materials have notably...

of Biomaterials Center, Superconducting Materials Center, Computational Materials Science Center and Materials Information Technology Station April 2002...

April 1965) is a German materials scientist and researcher, who has contributed significantly to the field of materials science. He is a professor at RWTH...

crystalline and amorphous materials. These strengthening mechanisms give engineers the ability to tailor the mechanical properties of materials to suit a variety...

high-pressure: A contribution from first-principle simulations". Computational Materials Science. 212: 111600. doi:10.1016/j.commatsci.2022.111600. hdl:11585/893023...

In materials science, the term single-layer materials or 2D materials refers to crystalline solids consisting of a single layer of atoms. These materials...

27, 1989) is an American physicist and computational material scientist. She is a Professor of Physical Sciences, and Electrical and Computer Engineering...

recognized for her significant contributions in the field of computational materials science, particularly in its applications to catalysis, charge transport...