Australian National UniversityQuantum Chemistry at ANU

Computational Chemistry Group Meetings

Date Speaker Caterer Title
26 DecBoxing Day
19 Dec
12 Dec
05 Dec
28 Nov
21 NovNo group meeting
14 NovKatrinLeesaAre we family? Investigating the kinetics of a novel class of N-containing methacrylates via PLP-SEC
07 NovLaurenExcited States of Cyanines
31 OctNathanielMP2 energies by JOVE!
24 OctNo group meeting
17 OctNo group meeting
10 OctPete Bond
03 OctLabour Day
26 SepFamily and Community Day
19 SepNo group meeting
12 SepNo group meeting
05 SepMeganKarmenThe effect of membrane composition on drug interactions
01 SepNimrodAb-initio calcs of complex molecular PESs from standard (Hermitian) electronic structure packages
29 AugKarmenRikaSharing research
22 AugNo group meeting
15 AugRikaCalebThe Materials Genome Project and Big Data
09 AugCaleb(end of term) One-dimensional chemistry
08 AugStaceyMaratComputational studies of DNA damage, replication and repair: From chemical structures to reaction mechanisms
05 AugRichmond(end of term) Mechanistic understanding in carbon-carbon bond construction and oxidative reconstruction
01 AugMaratLeesaCoordinate transformation and the nuclear vibrational problem
25 JulyLeesaRichmondSynthesis of novel nitroxides: From computer to laboratory bench
18 JulyRichmondMichelleTheoretical insights into asymmetric organocatalysis: When chemo- and enantio-selectivity matters
11 JulyClemenceBenAnalyzing and quantifying (non)-covalent interactions
04 JulyIndependence Day
27 JunNaomiAmandaIt's all falling apart! How to design an effective self-healing polymer
20 JunAmandaSinaElucidating a potential mechanism of the Dok7/MuSK/Membrane complex
14 JunSinaCatherine(mid-term) Investigation of the Frost-Braunstein wavefunction for H2 at small, intermediate and large internuclear distances
06 JunNo group meeting
31 MaySimonGiuseppeGetting to the core of the matter: An efficient method for calculating effective core potential integrals over Gaussian basis functions
30 MaySonyaGiuseppeMolecular dynamics of large systems with quantum corrections for the nuclei
23 MayGiuseppeJoshIntegral screening methods and scaling consistency
16 MayNo group meeting
09 MayJoshTitouDesign of FRET-based biosensors for glycine
02 MayTitouAlexThe symmetry-broken local density approximation
25 AprAnzac Day
18 AprAlexAndrewUnderstanding the accumulation of P-glycoprotein substrates within cells
11 AprAndrewDelinSparse grids: Fast or Farce?
04 AprDelinDavidArginine-rich cell penetrating peptides: How do they traverse the cell membrane barrier?
28 MarEaster Monday
21 MarDavidRichard(end of term) Calculating the NMR chemical shielding of large molecules
14 MarCanberra Day
07 MarRichardPatrick(end of term) Further computational investigations on Photosystem II
29 FebPatrick BultinckMickConfiguration interaction and variational density matrices in seniority zero space
22 FebMickHow can we use fragmentation to calculate dynamical properties?
15 FebAdam, DevyaniKarmenASC seminars
08 FebKarmenJiaStructure-based estimation of protonation states of histidines in (6-4) photolyase
01 FebJiaKaiHartree-Fock stability theory
25 JanKaiMichael
18 JanMichaelTitouInsertion of boron nitride nanotubes into lipid bilayers
11 JanDavid SmithMichelleA computational approach to modelling complex systems: From peptides to ionic liquids
04 JanNo group meeting