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| category = Materials science, Crystallography, Computational chemistry ...ty functional theory|density functional theory]] and related computational chemistry methods. ...

...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 ...

...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 ...

<div class="bs-group-toggle mw-collapsible-toggle">🧪 Physics, Chemistry & Materials Science</div> | * [[QuChemPedIA@home]] run density functional theory (DFT) quantum chemistry calculations ...

...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 ...

...ign:top; padding:6px;" | '''[[QMC@Home]]'''<br/><small>Chemistry / Quantum chemistry</small> ...tructure — among the most computationally demanding methods in theoretical chemistry. Currently inactive. ...

* '''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 ...

...umerous peer-reviewed publications in structural biology and computational chemistry. ...

...n Mitochondrial Methionyl tRNA Formyltransferase." ''Journal of Biological Chemistry'' (2014). DOI: 10.1074/jbc.M114.610626. ...

...fficient optimization and multithreading |journal=Journal of Computational Chemistry |year=2010 |volume=31 |pages=455–461 |doi=10.1002/jcc.21334}}</ref> ...

| Research in Solid-state physics, Materials science, Optics and Chemistry. | Pharmaceutical chemistry research. ...

...In practice, Predictor@home used [[physics]]-based all-atom [[force field (chemistry)|force fields]] with [[implicit solvation|implicit solvation models]] (the ...

...] are ubiquitous in diverse fields of science, including physics, biology, chemistry, geometry, and abstract mathematics. Nevertheless, for centuries new mathem ...