Kungl. Tekniska Högskolan Royal Institute of Technology
School of Biotechnology
Division of
Theoretical Chemistry
& Biology
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Most recent publications
Microsecond molecular dynamics simulations provide insight into the allosteric mechanism of the Gs protein uncoupling fr...
Enhancement of Internal Motions of Lysozyme through Interaction with Gold Nanoclusters and its Optical Imaging
Oxidative Ring Closure and Metal Triggered Ring Opening: Syntheses of Macrocyclic and Linear Hexapyrroles
Towards Fully Nonempirical Simulations of Optical Band Shapes Of Molecules in Solution: A Case Study of Heterocyclic Ket...
Molecular Adhesion at Clay Nanocomposite Interfaces Depends on Counterion Hydration - Molecular Dynamics Simulation of M...
A near-infrared “on-off” fluorescent and colorimetric cyanide chemodosimeter based on phenothiazine with application...
Two-Photon Absorption of Metal-Assisted Chromophores
Cosensitizers for simultaneous filling up of both absorption valleys of porphyrins: a novel approach for developing effi...
Light upconverting core–shell nanostructures: nanophotonic control for emerging applications
(Click here to view the full publication list)
News & upcoming events
(click here for past events, news and seminars)

Professor Hans. Ågren receives the Björn Roos award in theoretical chemistry.

For details refer to KTH NEWS.

Theochem appears again in KTH Research News

TKB apppears in KTH NEWS under the heading "KTH develops Nobel prize awarded computer simulations". Refer to KTH NEWS.

Click here to know more about this

Courses and seminar series at Theoretical Chemistry & Biology

o Seminar by Dr. Stefan Knippenberg, from TheoChemBio, KTH
"Simulations of Excited Electronic States and Photochemistry"
Schedule: 10:00, Dec-17, 2014
Location: Roslagstullsbacken 15

o PhD Disputation: Jaime Axel Rosal Sandberg
"New efficient integral algorithms for quantum chemistry"
by Jaime Axel Rosal Sandberg
at 14:00, Sep-15, 2014
Opponent: Prof. Dr. H. J. J. Jensen, SDU, Denmark. Location: Hall FB53

o Multiscale Modeling (BB2540) starts on March 19!

Location: Roslagstullsbacken 15
Latest Research

News on the latest research from the Department of Theoretical Chemistry & Biology. For more information on the specific projects click on the figures above, and for information on the research fields please visit our research site..

(click here for earlier papers)
o Paper in Nature Communications
Professor Faris Gelmukhanov and Professor Hans Ågren recently published a paper in Nature Communications which is entitled "Site-selective photoemission from delocalized valence shells induced by molecular rotation".
o Paper in Nature Photonics
Professor Faris Gelmukhanov and Professor Hans Ågren recently published a paper in Nature Photonics which is entitled "Einstein-Bohr recoiling double-slit gedanken experiment performed at the molecular level - complementarity unveiled by decoupling coupled slits".
o Courses
o Diploma Work (Ex-jobb)
   more networks
The division of Theoretical Chemistry & Biology was established at KTH in 1999. We are located at the Albanova University Center - please come and see us! Our work is computer based, and consists mostly of the modeling of microscopic systems - that is we use mathematical models to simulate such systems in order to describe their properties, spectra and reactions. This could mean a molecule, a cluster, a polymer, a segment of a protein, a functional center in an enzyme, or a species which is dissolved in a solvent or adsorbed on a surface. The modelling is mostly, but not always, based on theories related to quantum mechanics. We have common projects among ourselves and with other biologists, chemists and physicists, here and elsewhere. We are also involved in teaching and seminars. If you want to learn more about us just click the areas above!