Difference between revisions of "Bio-systems and Ionic liquids"
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| + | Group leader: [[Narayanan Krishnamoorthy Anand]] | ||
| + | Members: {{#ask:[[Topical Meeting::atomistics]]}} | ||
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In this topical group we discuss a broad area of research including biological systems and materials. We perform atomistic simulations at two levels, classical as well as quantum-mechanical. Our areas of interests are: | In this topical group we discuss a broad area of research including biological systems and materials. We perform atomistic simulations at two levels, classical as well as quantum-mechanical. Our areas of interests are: | ||
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The meeting takes place biweekly on '''Tuesday at 10:30''', if not indicated differently. | The meeting takes place biweekly on '''Tuesday at 10:30''', if not indicated differently. | ||
| + | === SS 2014 === | ||
| + | * Tue, '''2.9.2014''' | ||
| + | * Tue, '''12.8.2014''' | ||
| + | * Tue, '''22.7.2014''': Discussion on Polyelectrolytes, CPMD and CP2K | ||
| + | * Tue, '''1.7.2014''': Progress reports | ||
| + | * Wed, '''11.6.2014 at 16:00''': External speaker (Ewa-Anna Oprzeska-Zingrebe) will give a talk on Molecular dynamics simulations and ab initio structure modeling: the approach to dynamic, elastic and structural properties of proteins | ||
| + | * Tue, '''20.5.2014''': General Discussion, Progress Reports | ||
| + | * Tue, '''29.4.2014''': Anand (Progress Report on Solvation properties of Polyelectrolytes in various solvents) and Martin ( MARTINI models of PSS and PDADMA) | ||
| + | * Tue, '''8.4.2014''': Konrad (Ionic Liquids) and Johannes | ||
| + | |||
| + | === WS 2013/2014 === | ||
| + | * Tue, '''18.03.2014''': Nanopore meeting (journal plus Radenovic aftertalk discussions) | ||
| + | * Tue, '''25.02.2014''': Bibek (doped diamondoids) and Ganesh (diamondoid nucleobase interactions) | ||
| + | * Tue, '''13.02.2014 (at 1 p.m)''': Anand (Solvation properties of Polyelectrolytes in various solvents) and Martin (martini models of PSS and PDADMA) | ||
| + | * Tue, '''28.01.2014''': Konrad (Ionic Liquids) plus progress reports if any | ||
| + | * Tue, '''14.01.2014 (at 11 am)''': Nanopore meeting kickstarts : Discussions on DNA translocation and functionalized nanopores | ||
| + | * Tue, '''17.12.2013 (at 1 p.m)''': Frank Maier will talk about Diamondoid-Nucleobase complexes and Martin Vögele will talk about MARTINI models of PSS and PDADMA. | ||
| + | * Tue, '''03.12.2013''': More discussions on Carbon Onions and Diamondoids | ||
| + | * Tue, '''19.11.2013''': Konrad Breitsprecher will talk about his progress on Ionic Liquids and Ganesh Sivaraman will discuss about Diamondoid-Nucleobase Interactions | ||
| + | * Tue, '''05.11.2013''': Discussions were made regarding the Assembly of Carbon-Onions (Maria Fyta, Bibek Adhikari, Ganesh Sivaraman) and FFS on Alanine Dipeptide (Hannes Zemann) | ||
| + | * Tue, '''22.10.2013''': Bibek Adhikari, Martin Vögele and Frank Maier presented their progress report | ||
* Wed, '''18.09.2013''': Initial meeting | * Wed, '''18.09.2013''': Initial meeting | ||
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== Tools == | == Tools == | ||
Latest revision as of 13:06, 2 December 2014
Group leader: Narayanan Krishnamoorthy Anand Members: Christian Holm
In this topical group we discuss a broad area of research including biological systems and materials. We perform atomistic simulations at two levels, classical as well as quantum-mechanical. Our areas of interests are:
- Biological systems
- Pure/bio-materials
- Dielectrics/ionic liquids
- Force fields
Schedule
The meeting takes place biweekly on Tuesday at 10:30, if not indicated differently.
SS 2014
- Tue, 2.9.2014
- Tue, 12.8.2014
- Tue, 22.7.2014: Discussion on Polyelectrolytes, CPMD and CP2K
- Tue, 1.7.2014: Progress reports
- Wed, 11.6.2014 at 16:00: External speaker (Ewa-Anna Oprzeska-Zingrebe) will give a talk on Molecular dynamics simulations and ab initio structure modeling: the approach to dynamic, elastic and structural properties of proteins
- Tue, 20.5.2014: General Discussion, Progress Reports
- Tue, 29.4.2014: Anand (Progress Report on Solvation properties of Polyelectrolytes in various solvents) and Martin ( MARTINI models of PSS and PDADMA)
- Tue, 8.4.2014: Konrad (Ionic Liquids) and Johannes
WS 2013/2014
- Tue, 18.03.2014: Nanopore meeting (journal plus Radenovic aftertalk discussions)
- Tue, 25.02.2014: Bibek (doped diamondoids) and Ganesh (diamondoid nucleobase interactions)
- Tue, 13.02.2014 (at 1 p.m): Anand (Solvation properties of Polyelectrolytes in various solvents) and Martin (martini models of PSS and PDADMA)
- Tue, 28.01.2014: Konrad (Ionic Liquids) plus progress reports if any
- Tue, 14.01.2014 (at 11 am): Nanopore meeting kickstarts : Discussions on DNA translocation and functionalized nanopores
- Tue, 17.12.2013 (at 1 p.m): Frank Maier will talk about Diamondoid-Nucleobase complexes and Martin Vögele will talk about MARTINI models of PSS and PDADMA.
- Tue, 03.12.2013: More discussions on Carbon Onions and Diamondoids
- Tue, 19.11.2013: Konrad Breitsprecher will talk about his progress on Ionic Liquids and Ganesh Sivaraman will discuss about Diamondoid-Nucleobase Interactions
- Tue, 05.11.2013: Discussions were made regarding the Assembly of Carbon-Onions (Maria Fyta, Bibek Adhikari, Ganesh Sivaraman) and FFS on Alanine Dipeptide (Hannes Zemann)
- Tue, 22.10.2013: Bibek Adhikari, Martin Vögele and Frank Maier presented their progress report
- Wed, 18.09.2013: Initial meeting
Tools
For classical simulations, we use
For quantum mechanical simulations, we use