| category = Materials science, Crystallography, Computational chemistry
...ty functional theory|density functional theory]] and related computational chemistry methods.
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10 KB (1,305 words) - 04:09, 28 May 2026
...ChemPedIA@home was a completed Chemistry BOINC project running DFT quantum chemistry calculations on volunteer computers, operated by the LERIA and MOLTECH-Anjo
| category = Chemistry / Computational chemistry
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21 KB (2,861 words) - 12:48, 9 June 2026
...ng Applications with Graphics Processors |journal=Journal of Computational Chemistry |volume=28 |issue=16 |pages=2618–2640 |year=2007 |doi=10.1002/jcc.20829}}</
GPUGRID simulations have contributed to research in computational chemistry, protein dynamics, and molecular modeling. The project has supported studie
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13 KB (1,609 words) - 13:41, 29 May 2026
<div class="bs-group-toggle mw-collapsible-toggle">🧪 Physics, Chemistry & Materials Science</div>
| * [[QuChemPedIA@home]] run density functional theory (DFT) quantum chemistry calculations
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15 KB (1,482 words) - 15:45, 12 June 2026
...ation, and performance of a simple model |journal=Journal of Computational Chemistry |volume=29 |issue=7 |pages=1092–1102 |doi=10.1002/jcc.20870 |pmid=18069664
...molecular mechanics model was published in the ''Journal of Computational Chemistry'' in 2008.<ref name="jcc2008"/> The paper validated the approach against ex
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16 KB (2,149 words) - 16:13, 8 June 2026
...ign:top; padding:6px;" | '''[[QMC@Home]]'''<br/><small>Chemistry / Quantum chemistry</small>
...tructure — among the most computationally demanding methods in theoretical chemistry. Currently inactive.
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33 KB (4,861 words) - 16:08, 12 June 2026
* '''Marko Jukić''' — biochemistry lead; Faculty of Chemistry and Chemical Engineering, University of Maribor and Faculty of Mathematics,
* '''Črtomir Podlipnik''' — computational chemistry; Faculty of Chemistry and Chemical Technology, University of Ljubljana, Slovenia<ref>{{cite book
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20 KB (2,633 words) - 12:04, 23 May 2026
...umerous peer-reviewed publications in structural biology and computational chemistry.
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11 KB (1,445 words) - 18:27, 7 June 2026
...n Mitochondrial Methionyl tRNA Formyltransferase." ''Journal of Biological Chemistry'' (2014). DOI: 10.1074/jbc.M114.610626.
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12 KB (1,594 words) - 13:08, 29 May 2026
...fficient optimization and multithreading |journal=Journal of Computational Chemistry |year=2010 |volume=31 |pages=455–461 |doi=10.1002/jcc.21334}}</ref>
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15 KB (2,079 words) - 12:21, 9 June 2026
| Research in Solid-state physics, Materials science, Optics and Chemistry.
| Pharmaceutical chemistry research.
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94 KB (12,449 words) - 15:51, 12 June 2026
...In practice, Predictor@home used [[physics]]-based all-atom [[force field (chemistry)|force fields]] with [[implicit solvation|implicit solvation models]] (the
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18 KB (2,374 words) - 13:45, 3 June 2026
...] are ubiquitous in diverse fields of science, including physics, biology, chemistry, geometry, and abstract mathematics. Nevertheless, for centuries new mathem
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21 KB (2,668 words) - 01:14, 23 May 2026