Search results

...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 ...

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

...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 ...

| description = QMC@Home was a completed quantum chemistry BOINC volunteer computing project hosted by the University of Münster that | category = Chemistry ...

...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 ...

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 ...

...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> |* [[eOn]] simulate long timescale evolution of atomic scale systems in chemistry and materials science ...

...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 ...

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

...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}} ...

* '''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. ...

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

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

...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 ...

Using the [[wikipedia:CHARMM|CHARMM]] (Chemistry at HARvard Macromolecular Mechanics) molecular simulation program, Docking@ ...

|journal=Journal of Computational Chemistry |journal=Journal of Computational Chemistry ...