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Achievements

Showing records 1 - 20 (of 35)
Type Date Title Description ID
Invited presentations at conferences 2022-11-01 Controlling accuracy in support function codes  Online FAIRmat workshop on data quality in DFT codes 4657714
Invited presentations at conferences 2022-10-01 Trends in the stability and synthesizability of clusters: A theoretical study of their energy landscapes  Cluster meeting, Feldberg 4657713
Invited presentations at conferences 2022-06-01 Symmetry biasing of structure predictions and product biasing of reactioon pathways  Challenges in Designing Room Temperature Superconductors 4657715
Invited presentations at conferences 2022-05-01 Harnessing the power of machine learned potential energy surfaces to perform large scale structure predictions and transformation pathway searches  CNLS Workshop on Machine Learning in Chemical and Materials Sciences 4657712
Invited presentations at conferences 2019-10-01 From Levinthal's paradox to the enigma of missing structures: Using Minima Hopping to gain insight into potential energy landscapes  FisMat2019 4525170
Invited presentations at conferences 2019-07-15 Wavelets for electronic structure calculations, an introduction and overview  ISTCP2019 4525172
Invited presentations at conferences 2019-04-15 A force field based on a charge equilibration scheme steered by a neural network  Developing High-Dimensional Potential Energy Surfaces – From the Gas Phase to Materials 4525173
Invited presentations at conferences 2019-01-10 Workshop on Crystal Structure PredExploring the potential energy surface of synthesizable and non-synthesizable clusters  Workshop on Crystal Structure Prediction: Exploring the Mendeleev Table as a Palett to Design New Materials 4525549
Invited presentations at conferences 2018-09-09 Cecam workshop: Machin A Machine learning scheme based on charge equilibration  Cecam workshop: Machine learning at interfaces 4498877
Invited presentations at conferences 2018-07-01 Daubechies wavelets for electronic structure calculations  Real space methods in quantum chemistry 4498878
Invited presentations at conferences 2018-04-04 Calculating the potential energy surface and extracting information from it about the dynamics of the system: From neural network potentials to automated reaction pathway determination  ACS National meeting 4493980
Invited presentations at conferences 2017-10-01 Structure Predictions with the Minima Hopping method  Materials Science and Technology 2017 4175890
Invited presentations at conferences 2017-08-01 A force field based on a charge equilibration scheme steered by a neural network   CECAM workshop on force fields in an age of cheap computing 4175864
Invited presentations at conferences 2017-08-01 DFT with wavelets  Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science: 4175889
Invited presentations at conferences 2017-07-01 BigDFT: Accurate and Efficient Density Functional Calculations on Peta Scale  PASC 2017 4175879
Invited presentations at conferences 2016-07-01 Understanding the structure and dynamics of clusters based on the explloration of the potential energy surface  CECAM workshop on Structure prediction of nanoclusters from global optimization techniques 3697000
Invited presentations at conferences 2016-07-01 Exploring the potential energy landscape with the minima hopping method  IMPRESS Workshop on Interface Morphology Prediction 4175852
Invited presentations at conferences 2016-04-01 Wavelets as a Basis Set for Electronic Structure Calculations: The BigDFT Project  SIAM Conference on Parallel Processing for Scientific Compututing 3696998
Invited presentations at conferences 2015-08-01 Electronic structure calculations with wavelets  ACS national meeting 3389301
Invited presentations at conferences 2015-02-01 Exploring and characterizing the potential energy surface  CECAM/Psi-k Research Conference 3389297
Showing records 1 - 20 (of 35)


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30/04/2024