V. Van Speybroeck
Accurate parameterization of non-bonded interactions in nanoporous materials
Elucidating the luminescence properties of functionalized UiO-66 frameworks via Theory
High-throughput screening of extrinsic point defect properties in Si and Ge
19
ISBN/ISSN:
Talk
Conference / event / venue
Euro-TMCS I
Granada, Spain
Wednesday, 28 January, 2015 to Friday, 30 January, 2015
Exploring New Frontiers in Modeling Complex Zeolite-Catalyzed Reactions Using Advanced Molecular Dynamics Techniques
O-Th-408-13
ISBN/ISSN:
Talk
Conference / event / venue
24th North American Catalysis Society Meeting (NAM24)
Pittsburgh, PA, USA
Sunday, 14 June, 2015 to Friday, 19 June, 2015
Combined Theoretical and Experimental Study on the Influence of Zeolitic Acid Strength on the Methanol Conversion Process
ISBN/ISSN:
Talk
Conference / event / venue
ZMPC2015
Sapporo, Japan
Sunday, 28 June, 2015 to Thursday, 2 July, 2015
Exploring new frontiers in modeling complex chemical transformations in nanoporous materials
ISBN/ISSN:
Invited talk
Conference / event / venue
UC Berkeley
Berkeley, USA
Thursday, 26 February, 2015
Unraveling the breathing in Metal-Organic Frameworks: from force fields to thermodynamic insights
ISBN/ISSN:
Talk
Conference / event / venue
IAP PL3 meeting
Mons, Belgium
Thursday, 5 February, 2015
Doping of CeO2 as a tunable buffer layer for coated superconductors: A DFT study of mechanical and electronic properties
63
ISBN/ISSN:
Talk
Conference / event / venue
39th International Conference and Exposition on Advanced Ceramics and Composites
Daytona Beach, Florida, USA
Sunday, 25 January, 2015 to Friday, 30 January, 2015
the Delta-benchmark: precision assessment of DFT solid state codes
ISBN/ISSN:
Poster
Conference / event / venue
CECAM/Psi-k Research Conference: Frontiers of first-principles simulations: materials design and discovery
Berlin, Germany
Sunday, 1 February, 2015 to Thursday, 5 February, 2015
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