...ect run by the Theoretical Chemistry Department of the Leiden Institute of Chemistry at Leiden University, allowing scientists and students to submit personal c
| category = Chemistry, Physics
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9 KB (1,253 words) - 12:18, 22 June 2026
| 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
...arches to simulate the long timescale evolution of atomic scale systems in chemistry and materials science.
...}.</ref> The project applied [[wikipedia:theoretical chemistry|theoretical chemistry]] methods, chiefly [[wikipedia:transition state theory|transition state the
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15 KB (2,047 words) - 10:22, 25 July 2026
| description = QMC@Home was a completed quantum chemistry BOINC volunteer computing project hosted by the University of Münster that
| category = Chemistry
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17 KB (2,292 words) - 16:44, 13 June 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
...
21 KB (2,861 words) - 12:48, 9 June 2026
The scientific core of POEM@HOME was an all-atom [[wikipedia:force field (chemistry)|free-energy force field]], developed over several years by the Wenzel grou
...tions of molecular and nanoscale systems |journal=Journal of Computational Chemistry |volume=33 |issue=32 |pages=2602-2613 |date=2012 |doi=10.1002/jcc.23089 |ur
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13 KB (1,742 words) - 19:24, 18 July 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>
|* [[eOn]] simulate long timescale evolution of atomic scale systems in chemistry and materials science
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18 KB (1,893 words) - 10:48, 25 July 2026
...ation, and performance of a simple model |journal=Journal of Computational Chemistry |volume=29 |issue=7 |pages=1092–1102 |date=2008-05-29 |doi=10.1002/jcc.2087
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12 KB (1,599 words) - 14:10, 5 July 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 (4,867 words) - 17:01, 3 July 2026
...elated computing has contributed to peer-reviewed research across physics, chemistry, biomedicine, and citizen-science methodology. A comprehensive, continually
...model for alkanes, alkenes, and alkynes] |journal=Journal of Computational Chemistry |year=2017 |doi=10.1002/jcc.24689}}
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22 KB (2,725 words) - 22:10, 28 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
| Research in Solid-state physics, Materials science, Optics and Chemistry.
| Pharmaceutical chemistry research.
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94 KB (12,451 words) - 11:23, 25 July 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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16 KB (2,203 words) - 21:11, 15 July 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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20 KB (2,655 words) - 15:42, 18 June 2026
Using the [[wikipedia:CHARMM|CHARMM]] (Chemistry at HARvard Macromolecular Mechanics) molecular simulation program, Docking@
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25 KB (3,276 words) - 00:17, 26 June 2026
|journal=Journal of Computational Chemistry
|journal=Journal of Computational Chemistry
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86 KB (11,993 words) - 18:40, 8 July 2026