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

searching for Computational materials science 98 found (136 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 (946 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
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
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
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
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
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;
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Metal matrix composite (2,514 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
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
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
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
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
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 (1,349 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;
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
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
Stopping power (particle radiation) (4,054 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
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
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
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
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
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 (11,330 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 (6,991 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
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
California State University, Northridge (11,818 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
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
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
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
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
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
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
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
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 (14,031 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 (4,812 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 (2,148 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 (15,379 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.