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Events at CTCC

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Time and place: May 19, 2017 2:15 PM, V205, Kjemibygningen

Earth-abundant metal catalyst for amide hydrogenation to methanol

A recording of his talk can be found here.

Time and place: May 12, 2017 2:15 PM, V205, Kjemibygningen and ROOM #1.441

Bin Gao: "The Evolution of An Integral Library"

Erik Tellgren: "What induced fields can do for rigorous CDFT (a lot!)"  

Time and place: May 5, 2017 2:15 PM, V205, Kjemibygningen

Using the GW and Bethe-Salpeter methods in molecular quantum chemistry

 

Time and place: Apr. 19, 2017 3:15 PM - 4:00 PM, Auditorium 3, kjemibygningen
Time and place: Apr. 7, 2017 2:15 PM, ROOM #1.441 Teorifagbygget

Synergy Between Experimental and Computational Approaches: Photocatalytic Double C-H Functionalization

A recording of the presentation can be found here

Time and place: Mar. 31, 2017 2:15 PM, V205, Kjemibygningen

Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry

 

Time and place: Mar. 24, 2017 2:15 PM, ROOM #1.441 Teorifagbygget

A method for calculating protein stability

A recording of the presentation can be found here

Time and place: Mar. 22, 2017 1:15 PM - 2:00 PM, Auditorium 3, kjemibygningen
Time and place: Mar. 17, 2017 2:15 PM, V205, Kjemibygningen

Spinning and rotating: two for the price of one.

A recording of the talk can be found here. We appologize for the poor picture quality in this recording.

 

Time and place: Mar. 3, 2017 2:15 PM, ROOM #1.441 (LEVEL 4) Teorifagbygget

Title: The basis set limit is no longer a chimera: DFT energy and properties with multiwavelets

A video recording of the talk can be found here.

Time and place: Feb. 24, 2017 2:15 PM, V205, Kjemibygningen

Title: Classical Molecular Dynamics Simulations of Bacterial Membranes.  

Abstract: Lipopolysaccharides (LPS) are the major constituent of bacterial outer membranes and a potent activator of the mammalian immune system. Variable external conditions, like temperature and specific ion concentration, promotes lamellar to non-lamellar transitions in LPS membranes enhancing the organism ability to evade the host immune defence and colonize specific tissues.

Using atomistic models we have investigated the structure, dynamics and hydration of LPS membranes against different conditions of temperature, cations and primary chemical structure of LPS. Our progress and perspectives of this work will be discussed at this talk.

A video recording of the talk can be found here.

 

Time and place: Jan. 27, 2017 2:15 PM, ROOM #1.441 Teorifagbygget

What makes a lineshape?

Abstract: Many effects contribute to form the spectroscopic lineshape that we observe and it is difficult to adequately account for all of them. We take a closer look at various lineshape effects and propose a simplified model to deal with them. This work is unfinished and still at the stage of speculation, and any comments or suggestions are welcome.

A recording of the presentation can be found here

Time and place: Jan. 20, 2017 2:15 PM, V205, Kjemibygningen

Artur Ulikowski

Title: The activation of amide carbonyls towards nucleophilic attack – mechanisms and synthetic applications

Artur Ulikowski is visiting from Warsaw. Abstract below.

Chandan Kumar

Title: Approximative Kohn-Sham Response Theory: using Density-fitting and the Auxiliary-Density-Matrix Method

Abstract below.

 

Recordings of both presentations: 480p720p1080p

Time and place: Jan. 13, 2017 2:15 PM, V205, Kjemibygningen

Quantum chemistry of crystalline solids using a local basis set: the CRYSTAL and CRYSCOR codes

Recordings of the presentation: 480p720p1080p

 

Time and place: Dec. 8, 2016 3:15 PM, V205, Kjemibygningen

Two Studies of Free Energy in Small Molecule Pharmaceuticals: Polymorph Stability Prediction and Covalent Binding of a Paracetamol Derivative to Human Serum Albumin 

Time and place: Nov. 25, 2016 2:15 PM, V205, Kjemibygningen

A priori Wannier orbitals: what works and what doesn't

Time and place: Nov. 18, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

A bird's-eye view of solids and band structures

Time and place: Nov. 11, 2016 2:15 PM, V205, Kjemibygningen

Multilevel CC theory and X-ray spectroscopy

Time and place: Nov. 4, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

PCMSolver: An Application Programming Interface for the Polarizable Continuum Model

Time and place: Oct. 28, 2016 2:15 PM, V205, Kjemibygningen

Mechanism of the reaction of nucleophiles with aromatic nitrocompounds - a mass spectrometry and theoretical study

Time and place: Oct. 24, 2016 12:00 PM - Oct. 26, 2016 11:00 PM, The Norwegian Academy of Science and Letters, Oslo, Norway

A Symposium in Honour of Jeppe Olsen on the Occasion of his 60th Birthday

Time and place: Oct. 21, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

Two short stories on relativistic effects in chemistry

Time and place: Oct. 14, 2016 2:15 PM, V205, Kjemibygningen

Computational characterisation of the mechanism of the reaction between Fe(I) complexes and aryl halides

Time and place: Oct. 7, 2016 2:15 PM, V205, Kjemibygningen

Analyses and characterization of painting cross-sections in Scandinavian medieval altarpieces

Time and place: Sep. 30, 2016 2:15 PM, ROOM #1.441 Teorifagbygget

OpenRSP, Its Friends and Their Future (Personal Thinking)“. Here is a short description