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Longer titles found: Computational Materials Science (journal) (view)

searching for Computational materials science 98 found (137 total)

alternate case: computational materials science

CRYSTAL (software) (299 words) [view diff] case mismatch in snippet view article

Theoretical Chemistry Group at the University of Torino and the Computational Materials Science Group at the Daresbury Laboratory near Warrington in Cheshire

Pearson symbol (711 words) [view diff] case mismatch in snippet view article find links to article

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

Thomas Zacharia (303 words) [view diff] exact match in snippet view article find links to article

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

Uzi Landman (254 words) [view diff] case mismatch in snippet view article find links to article

computational physicist, the Fuller E. Callaway Professor of Computational Materials Science at the Georgia Institute of Technology. He earned a B.Sc. in

Nicholas Harrison (physicist) (1,417 words) [view diff] case mismatch in snippet view article

and optimising advanced materials. He is the Professor of Computational Materials Science in the Department of Chemistry at Imperial College London where

ABINIT (942 words) [view diff] case mismatch in snippet view article find links to article

computation of material properties: the ABINIT software project". Computational Materials Science. 25 (3): 478. doi:10.1016/S0927-0256(02)00325-7. X. Gonze;

Anna Balazs (873 words) [view diff] exact match in snippet view article find links to article

elected to the National Academy of Sciences for contributions to computational materials science and in 2022 was elected to the National Academy of Engineering

Markus J. Buehler (2,192 words) [view diff] exact match in snippet view article find links to article

research and teaching activities center on the application of a computational materials science approach to understand functional material properties in biological

MOOSE (software) (2,791 words) [view diff] case mismatch in snippet view article

"Computational Materials Science - An object-oriented finite element framework for multiphysics phase field simulations". Computational Materials Science

Chemical WorkBench (374 words) [view diff] case mismatch in snippet view article find links to article

Workbench––integrated environment for materials science". Computational Materials Science. 28 (2): 169–178. doi:10.1016/S0927-0256(03)00105-8. 3. Astapenko

Steven Richardson (physicist) (807 words) [view diff] exact match in snippet view article

University. He is recognized for his research contributions to computational materials science and computational chemistry. Steven Leslie Richardson was born

Nickel hydride (761 words) [view diff] case mismatch in snippet view article find links to article

of a single crystal of nickel by the embedded atom method". Computational Materials Science. 23 (1–4). Elsevier: 131–138. doi:10.1016/s0927-0256(01)00217-8

CONQUEST (655 words) [view diff] case mismatch in snippet view article find links to article

Nanotechnology, University College London in the UK and at the Computational Materials Science Centre, National Institute for Materials Science, Tsukuba,

MOLCAS (785 words) [view diff] case mismatch in snippet view article find links to article

"MOLCAS: a program package for computational chemistry". Computational Materials Science. 28: 222–239. Aquilante, Francesco; Autschbach, Jochen; Carlson

Aluminium–lithium alloys (2,482 words) [view diff] case mismatch in snippet view article find links to article

(L12) Structure". Naval Research Laboratory (NRL) Center for Computational Materials Science. 21 October 2004. Archived from the original on 6 April 2010

Yttrium nitride (237 words) [view diff] case mismatch in snippet view article find links to article

formation of yttrium nitride in cubic and hexagonal phases". Computational Materials Science. 42 (1): 8–13. arXiv:cond-mat/0703568. doi:10.1016/j.commatsci

Lanthanum phosphide (700 words) [view diff] case mismatch in snippet view article find links to article

properties of AB (A=Sc,Y,La;B=N,P,As,Sb,Bi) from first principles". Computational Materials Science. 79. Elsevier BV: 239–246. doi:10.1016/j.commatsci.2013.06

WIEN2k (803 words) [view diff] case mismatch in snippet view article find links to article

Blaha, Peter (2003). "Solid state calculations using WIEN2k". Computational Materials Science. 28 (2): 259–273. doi:10.1016/S0927-0256(03)00112-5. Blaha

Unit cell (1,109 words) [view diff] case mismatch in snippet view article find links to article

"The AFLOW Library of Crystallographic Prototypes: Part 1". Computational Materials Science. 136. Elsevier BV: S1 – S828. arXiv:1806.07864. doi:10.1016/j

Vienna Ab initio Simulation Package (656 words) [view diff] case mismatch in snippet view article find links to article

for metals and semiconductors using a plane-wave basis set". Computational Materials Science. 6 (1): 15–50. doi:10.1016/0927-0256(96)00008-0. Official website

Aragonite (1,877 words) [view diff] case mismatch in snippet view article find links to article

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

Plumbene (404 words) [view diff] case mismatch in snippet view article find links to article

along longitudinal direction: A molecular dynamics study". Computational Materials Science. 151: 196–203. doi:10.1016/j.commatsci.2018.05.006. S2CID 139217230

Centre Européen de Calcul Atomique et Moléculaire (432 words) [view diff] case mismatch in snippet view article find links to article

Organizations Country Member Organization Austria CMS (Center for Computational Materials Science) Belgium FRS-FNRS (Fonds de la Recherce Scientifique) FWO (Fonds

Joan Adler (359 words) [view diff] exact match in snippet view article find links to article

study of structural correlations at a liquid-solid interface." Computational materials science 24, no. 4 (2002): 443-452. Adler, Joan, and Uri Lev. "Bootstrap

National Institute for Materials Science (1,612 words) [view diff] case mismatch in snippet view article find links to article

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

Nitride chloride (1,727 words) [view diff] case mismatch in snippet view article find links to article

"Pressure-induced phase transition of zinc nitride chlorine". Computational Materials Science. 106: 175–179. doi:10.1016/j.commatsci.2015.04.043. Wang, Haoyang;

Maria Emelianenko (304 words) [view diff] case mismatch in snippet view article find links to article

At George Mason, she is also affiliated faculty with the Computational Materials Science Center, and directs the Math PhD Industrial Immersion Program

Muffin-tin approximation (635 words) [view diff] case mismatch in snippet view article find links to article

1103/PhysRev.51.846. Kaoru Ohno, Keivan Esfarjani, Yoshiyuki (1999). Computational Materials Science. Springer. p. 52. ISBN 978-3-540-63961-9.{{cite book}}: CS1

Shrikant Lele (815 words) [view diff] case mismatch in snippet view article find links to article

(2011). "An Improved CVM Entropy Functional for BCC Alloys". Computational Materials Science. 84 (published March 2014): 129–133. arXiv:1105.0536. doi:10

List of software for nanostructures modeling (621 words) [view diff] case mismatch in snippet view article find links to article

dynamics simulation of ion ranges in the 1–100 keV energy range". Computational Materials Science. 3 (4): 448–456. doi:10.1016/0927-0256(94)00085-q. ISSN 0927-0256

Crystal plasticity (643 words) [view diff] case mismatch in snippet view article find links to article

full-field micromechanical modelling of polycrystalline materials". Computational Materials Science. 173: 109336. doi:10.1016/j.commatsci.2019.109336. v t e

Volker Heine (1,680 words) [view diff] exact match in snippet view article find links to article

researchers working on the advancement of first-principles computational materials science. Psi-k's mission is to develop fundamental theory, algorithms

Nickel hydrazine nitrate (525 words) [view diff] case mismatch in snippet view article find links to article

crystals from an ab initio molecular dynamics simulation". Computational Materials Science. 143: 170–181. doi:10.1016/j.commatsci.2017.11.006. Chhabra

Iron(II) hydride (1,979 words) [view diff] case mismatch in snippet view article

dislocation strain field and its effect on dislocation interaction". Computational Materials Science. 141: 254–259. doi:10.1016/j.commatsci.2017.09.032 – via ScienceDirect

Feynman Prize in Nanotechnology (1,592 words) [view diff] exact match in snippet view article find links to article

Cagin Yue Qi 2000 Uzi Landman Georgia Institute of Technology Computational materials science for nanostructures 2001 Mark A. Ratner Northwestern University

Ductility (3,415 words) [view diff] case mismatch in snippet view article find links to article

Element Analysis of Tensile Testing with Emphasis on Necking". Computational Materials Science. 41 (1): 63–69. doi:10.1016/j.commatsci.2007.03.002. Osovski

Buckingham potential (1,324 words) [view diff] case mismatch in snippet view article find links to article

from ab initio simulations: The case of amorphous silica". Computational Materials Science. 124: 323–334. doi:10.1016/j.commatsci.2016.07.041. ISSN 0927-0256

Nanofoam (2,744 words) [view diff] case mismatch in snippet view article find links to article

of copper and copper/nickel nanofoams under compression". Computational Materials Science. 172: 109290. doi:10.1016/j.commatsci.2019.109290. ISSN 0927-0256

John J. Rehr (805 words) [view diff] case mismatch in snippet view article find links to article

Synchrotron Radiation Lightsource, Co-ordinator of the DOE Computational Materials Science Network, and leader of the Theoretical X-ray Beamline of the

Yifei Mo (397 words) [view diff] exact match in snippet view article find links to article

University of Maryland, he has spearheaded a new research group in computational materials science. He made significant research contributions in computational

Peter Gumbsch (483 words) [view diff] case mismatch in snippet view article find links to article

Institute for Mechanics of Materials IWM Publications Peter Gumbsch: Publications Institute for Applied Materials Computational materials Science IAM-CMS

Fiber pull-out (361 words) [view diff] case mismatch in snippet view article find links to article

using finite element method and artificial neural networks," Computational Materials Science, Vol. 79, pp.663-676, 2013. W. Krenkel, ed.:Ceramic Matrix

Metal matrix composite (2,509 words) [view diff] case mismatch in snippet view article find links to article

properties of precipitation-hardened aluminum cast alloys". Computational Materials Science. 51 (1): 365–371. doi:10.1016/j.commatsci.2011.07.061. ISSN 0927-0256

DoITPoMS (1,233 words) [view diff] case mismatch in snippet view article find links to article

constituents based on their morphological characteristics". Computational Materials Science. 199: 110722. doi:10.1016/j.commatsci.2021.110722. Aifantis

Multiscale modeling (2,318 words) [view diff] case mismatch in snippet view article find links to article

growth modeling and simulation: ZrO2 deposition on Si surface". Computational Materials Science. 24 (1–2): 128–132. doi:10.1016/S0927-0256(02)00174-X. Adamson

Perovskite (structure) (3,890 words) [view diff] case mismatch in snippet view article

Antiperovskite Compounds "Cubic Perovskite Structure". Center for Computational Materials Science. U.S. Naval Research Laboratory. Archived from the original

Freiberg University of Mining and Technology (3,369 words) [view diff] case mismatch in snippet view article find links to article

Analysis (AMA) Advanced Mineral Resource Development (AMRD) Computational Materials Science (CMS) EMerald master in Resources Engineering (EMerald) Geomatics

Binary collision approximation (1,845 words) [view diff] case mismatch in snippet view article find links to article

dynamics simulation of ion ranges in the 1–100 keV energy range". Computational Materials Science. 3 (4): 448–456. doi:10.1016/0927-0256(94)00085-Q. De La Rubia

Nottingham effect (462 words) [view diff] case mismatch in snippet view article find links to article

emission and thermal effects in field emitting nanotips". Computational Materials Science. 128: 15–21. arXiv:1609.02364. doi:10.1016/j.commatsci.2016

Dual-phase steel (600 words) [view diff] case mismatch in snippet view article find links to article

Microstructures on Strength and Ductility of Dual Phase Steels", Computational Materials Science, 103, Elsevier: 20–37, doi:10.1016/j.commatsci.2015.02.051

Noa Marom (708 words) [view diff] case mismatch in snippet view article find links to article

Technology Weizmann Institute of Science Scientific career Fields Computational Materials Science Condensed Matter Theory Quantum Chemistry Institutions Carnegie

List of people associated with Imperial College London (3,399 words) [view diff] case mismatch in snippet view article find links to article

the random neural network) Nicholas Harrison (Professor of Computational Materials Science) Michael Hassell (population ecology) John Henry (toxicologist)

David Ceperley (1,478 words) [view diff] case mismatch in snippet view article find links to article

Ceperley has also been an organiser of Summer Schools in Computational Materials Science. Videos of Ceperley's lectures on Quantum Monte Carlo methods

R. Edwin Garcia (530 words) [view diff] exact match in snippet view article find links to article

Garcia is interested in the application of theoretical and computational materials science to understand the relations between material properties and

Elizabeth A. Holm (479 words) [view diff] exact match in snippet view article find links to article

microstructural evolution in complex polycrystals employing computational materials science tools. She has bridged length scales from molecular dynamics

Dielectric spectroscopy (3,097 words) [view diff] case mismatch in snippet view article find links to article

model for electrode reactions with Butler–Volmer kinetics". Computational Materials Science. 50 (1): 118–124. doi:10.1016/j.commatsci.2010.07.015. Linear

Weizhu Bao (669 words) [view diff] exact match in snippet view article find links to article

quantum physics and chemistry, computational fluid dynamics, and computational materials science. In the study of BEC, he and collaborators have established

Prediction of crystal properties by numerical simulation (1,346 words) [view diff] case mismatch in snippet view article find links to article

for metals and semiconductors using a plane-wave basis set". Computational Materials Science. 6 (1): 15–50. doi:10.1016/0927-0256(96)00008-0. Dag, Sefa;

Indentation plastometry (1,756 words) [view diff] case mismatch in snippet view article find links to article

property using single spherical indentation - An FEM study". Computational Materials Science. 47 (2): 611–619. doi:10.1016/j.commatsci.2009.10.003. Zambaldi

Fraunhofer Institute for Mechanics of Materials (967 words) [view diff] case mismatch in snippet view article find links to article

- IMTEK Albert-Ludwigs-University Freiburg Mathematics and Physics Karlsruher Institute for Applied Materials Computational Materials Science IAM-CMS

Strukturbericht designation (816 words) [view diff] case mismatch in snippet view article find links to article

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

High throughput biology (1,359 words) [view diff] case mismatch in snippet view article find links to article

through computational ab initio high-throughput screening. Computational Materials Science. 2019;163:108-116. doi:10.1016/j.commatsci.2019.02.040 Yao

Stopping power (particle radiation) (4,051 words) [view diff] case mismatch in snippet view article

dynamics simulation of ion ranges in the 1–100 keV energy range". Computational Materials Science. 3 (4): 448–456. doi:10.1016/0927-0256(94)00085-Q. Archived

Rigidity theory (physics) (1,947 words) [view diff] case mismatch in snippet view article

topological constraint theory and molecular dynamics: A review". Computational Materials Science. 159: 95–102. doi:10.1016/j.commatsci.2018.12.004. ISSN 0927-0256

Strengthening mechanisms of materials (6,877 words) [view diff] case mismatch in snippet view article find links to article

simulations of solid solution strengthening in Ni-based superalloy". Computational Materials Science. 68: 132–137. doi:10.1016/j.commatsci.2012.10.002. Koteski

Sharon Glotzer (1,450 words) [view diff] case mismatch in snippet view article find links to article

and then director of the NIST Center for Theoretical and Computational Materials Science from 1994 to 2000. In January 2001 she moved to the University

Andrei Knyazev (mathematician) (902 words) [view diff] case mismatch in snippet view article

initio calculations based on three levels of parallelization", Computational Materials Science, 42 (2): 329–336, arXiv:0707.3405, doi:10.1016/j.commatsci

Bauschinger effect (2,277 words) [view diff] case mismatch in snippet view article find links to article

(2013). "Ultrasonic shot peening". International Journal of Computational Materials Science and Surface Engineering. 5 (3): 189. doi:10.1504/IJCMSSE.2013

Zirconium alloys (4,745 words) [view diff] case mismatch in snippet view article find links to article

multicrystals: application to an intergranular damage modeling". Computational Materials Science. 25 (1–2): 73–84. doi:10.1016/S0927-0256(02)00251-3. Wang,

Wennie Wang (717 words) [view diff] exact match in snippet view article find links to article

to broadening participation of underrepresented groups in computational materials science, and leadership and advocacy in the scientific community."

Composite material (11,326 words) [view diff] case mismatch in snippet view article find links to article

unidirectional metal matrix composites at elevated temperatures". Computational Materials Science. 79: 402–407. doi:10.1016/j.commatsci.2013.06.024. Debnath

Molecular dynamics (10,318 words) [view diff] case mismatch in snippet view article find links to article

growth of nanocrystalline Aluminium by molecular dynamics". Computational Materials Science. 128: 207–222. arXiv:1608.07615. doi:10.1016/j.commatsci.2016

Photonic crystal (6,985 words) [view diff] case mismatch in snippet view article find links to article

methods for electronic-structure and molecular dynamics". Computational Materials Science. 12 (3): 157–91. doi:10.1016/S0927-0256(98)00027-5. Richard

Density functional theory (10,626 words) [view diff] exact match in snippet view article find links to article

theorem of DFT holds in such conditions. In the context of computational materials science, ab initio (from first principles) DFT calculations allow the

Lyndon Smith (academic) (1,202 words) [view diff] case mismatch in snippet view article

irregular particles, for predicting apparent powder densities". Computational Materials Science. 7 (4): 377–383. doi:10.1016/S0927-0256(97)00003-7. Retrieved

List of female scientists in the 21st century (3,597 words) [view diff] exact match in snippet view article find links to article

follicular lymphoma Elisa Molinari, Italian physicist working on computational materials science and nanotechnologies, recognized "Fellow" of the American Physical

California State University, Northridge (12,025 words) [view diff] case mismatch in snippet view article find links to article

Award#0611562 - PREM - Multidisciplinary Research and Education in Computational Materials Science". www.nsf.gov. Retrieved May 13, 2019. "CSUN Part of New National

Neptunium (13,784 words) [view diff] case mismatch in snippet view article find links to article

Structure". United States Naval Research Laboratory Center for Computational Materials Science. Archived from the original on 2012-10-02. Retrieved 2013-10-16

Channelling (physics) (3,125 words) [view diff] case mismatch in snippet view article

dynamics simulation of ion ranges in the 1–100 keV energy range". Computational Materials Science. 3 (4): 448–456. doi:10.1016/0927-0256(94)00085-Q. Greaves

Topological insulator (6,993 words) [view diff] case mismatch in snippet view article find links to article

behavior in inverse Heusler compounds from first principles". Computational Materials Science. 70: 145–149. arXiv:1210.5816. doi:10.1016/j.commatsci.2012

Paulette Clancy (744 words) [view diff] exact match in snippet view article find links to article

Professor in 2023. Clancy's research investigates the use of computational materials science. She looks to understand the relationship between atomic structure

Nanoindentation (6,262 words) [view diff] case mismatch in snippet view article find links to article

simulations of the nanoindentation process of titanium crystal". Computational Materials Science. 76: 20–26. doi:10.1016/j.commatsci.2013.02.015. Fu, Tao; Peng

Attosecond physics (6,077 words) [view diff] case mismatch in snippet view article find links to article

calculations for attosecond electron dynamics in solids". Computational Materials Science. 194: 110274. arXiv:2011.01677. doi:10.1016/j.commatsci.2020

Binary compounds of silicon (4,886 words) [view diff] case mismatch in snippet view article find links to article

properties of silicon phosphide compounds with 3:4 stoichiometry". Computational Materials Science. 30 (3–4). Elsevier BV: 371–375. doi:10.1016/j.commatsci.2004

Graphene nanoribbon (6,361 words) [view diff] case mismatch in snippet view article find links to article

non-linear mechanical properties of graphene nanoribbons". Computational Materials Science. 50 (7): 2057–2062. doi:10.1016/j.commatsci.2011.02.008. Changgu

Liquidus and solidus (1,149 words) [view diff] case mismatch in snippet view article find links to article

identify the liquidus and solidus in a binary phase diagram". Computational Materials Science. 186. Elsevier BV: 110016. doi:10.1016/j.commatsci.2020.110016

Single-layer materials (8,694 words) [view diff] case mismatch in snippet view article find links to article

post-graphene member of silicon nitrides: A novel 2D material". Computational Materials Science. 180: 109693. doi:10.1016/j.commatsci.2020.109693. S2CID 216464099

Oxonickelates (2,062 words) [view diff] case mismatch in snippet view article find links to article

studies of triclinic phase of BiNiO3 and La-substituted BiNiO3". Computational Materials Science. 126: 407–417. doi:10.1016/j.commatsci.2016.10.014.

Hydrogen storage (14,025 words) [view diff] case mismatch in snippet view article find links to article

aluminum-based metal-organic frameworks: A computational study". Computational Materials Science. 126: 176–181. doi:10.1016/j.commatsci.2016.09.039. ISSN 0927-0256

Physics-informed neural networks (4,808 words) [view diff] case mismatch in snippet view article find links to article

neural networks for an alloy solidification benchmark problem". Computational Materials Science. 18. arXiv:1912.09800. doi:10.1016/j.commatsci.2020.109687

Magd Abdel Wahab (2,133 words) [view diff] case mismatch in snippet view article find links to article

shear deformation theory and isogeometric finite elements". Computational Materials Science. 96: 495–505. doi:10.1016/j.commatsci.2014.04.068. Thai, Chien

Field electron emission (15,721 words) [view diff] case mismatch in snippet view article find links to article

emission and thermal effects in field emitting nanotips". Computational Materials Science. 128: 15. arXiv:1609.02364. doi:10.1016/j.commatsci.2016.11

Gregory Odegard (1,694 words) [view diff] case mismatch in snippet view article find links to article

flattened CNT stacks and polyimides: A molecular dynamics study". Computational Materials Science. 185: 109970. doi:10.1016/j.commatsci.2020.109970. S2CID 224875769

Slip bands in metals (5,233 words) [view diff] case mismatch in snippet view article find links to article

mechanisms of prismatic dislocation loops in FCC metals". Computational Materials Science. 140: 32–46. doi:10.1016/j.commatsci.2017.07.043. "grain boundray

Carbon nanotubes in interconnects (4,759 words) [view diff] case mismatch in snippet view article find links to article

nanotube composite for applications in electronic packaging". Computational Materials Science. 97. Elsevier BV: 1–5. doi:10.1016/j.commatsci.2014.10.014

Maciej Kumosa (4,654 words) [view diff] case mismatch in snippet view article find links to article

interactions with polymers through molecular dynamics simulations". Computational Materials Science. 211: 111548. doi:10.1016/j.commatsci.2022.111548.[non-primary

Extended Wulff constructions (6,264 words) [view diff] case mismatch in snippet view article find links to article

A tool for the calculation and display of crystal shapes". Computational Materials Science. 11 (1): 16–26. doi:10.1016/S0927-0256(97)00167-5. Code for

Phases of ice (15,401 words) [view diff] case mismatch in snippet view article find links to article

and ice VII: DFT methods with localized based set" (PDF). Computational Materials Science. 49 (4): S170 – S175. doi:10.1016/j.commatsci.2010.04.004.