Projects per year
Fingerprint Dive into the research topics where Technological Platform High Performance Computing is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
Zeolites
Chemical Compounds
Molecular dynamics
Chemical Compounds
Molecules
Chemical Compounds
Carrier concentration
Chemical Compounds
Electronic density of states
Chemical Compounds
Proteins
Engineering & Materials Science
Charge density
Chemical Compounds
Proline
Chemical Compounds
Network
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Profiles
Research Output 1992 2017
The Role of Water in the Elastic Properties of Aluminosilicate Zeolites: DFT Investigation
Bryukhanov, I. A., Rybakov, A. A., Larin, A. V., Trubnikov, D. N. & Vercauteren, D. P., 1 Mar 2017, In : Journal of Molecular Modeling. 23, 3, 12 p., 68.Research output: Contribution to journal › Article
Zeolites
Aluminosilicates
Discrete Fourier transforms
zeolites
modulus of elasticity
Accessing the Free Energy Profile of a Ring Closure in a Proline-Catalyzed Reaction Using a Reactive Force Field
Hubin, P., Jacquemin, D., Leherte, L. & Vercauteren, D. P., 1 Jan 2016, In : Theoretical Chemistry Accounts. 135, 1, p. 1-10 10 p., 16.Research output: Contribution to journal › Article
Proline
field theory (physics)
Free energy
closures
free energy
A Multiscale Approach to Study the Kinetics and the Dynamics of Fluorescent Protein Complexes
Fossepre, M. F., Champagne, B. C. & Vercauteren, D. P., 2016.Research output: Contribution to conference › Poster
Activities 2013 2017
Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes
Daniel P. Vercauteren (Visiting researcher)1 Feb 2017 → 30 Jul 2017
Activity: Visiting an external institution types › Visiting an external academic institution
On the Intrinsic Flexibility of the μ Opioid Receptor through Multiscale Modeling Approaches
Daniel P. Vercauteren (Invited speaker)2017 → …
Activity: Talk or presentation types › Invited talk
Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes
Daniel P. Vercauteren (Visiting researcher)May 2016
Activity: Visiting an external institution types › Visiting an external academic institution