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Achievements

Showing records 1 - 20 (of 35)
Type Date Title Description ID
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 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 2018-07-01 Daubechies wavelets for electronic structure calculations  Real space methods in quantum chemistry 4498878
Invited presentations at conferences 2012-12-01 Density functional calculations in a wavelet basis with the BigDFT code  The Workshop on Computational Methods for Complex Systems 1524796
Invited presentations at conferences 2015-01-01 Exploring and understanding the potential energy landscape of clusters  International Conference on computational physics 3389298
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 2017-07-01 BigDFT: Accurate and Efficient Density Functional Calculations on Peta Scale  PASC 2017 4175879
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 2014-04-10 Computational discovery of new structures using the minima hopping method  APS March meeting 2832565
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 2013-03-01 Crystal Structure Prediction with the Minima Hopping Method  TCS conference 2013 2310864
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 2013-09-01 Density functional based structure predictioon with the minima hopping method  EuroMat conference 2013 2310867
Invited presentations at conferences 2010-09-13 Density functional calculations in a wavelet basis with the BigDFT code  Psi-k 2010 453393
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
Invited presentations at conferences 2016-07-01 Exploring the potential energy landscape with the minima hopping method  IMPRESS Workshop on Interface Morphology Prediction 4175852
Awards, honours and prizes 2009-03-01 Fellow American Physical Society  96581
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 2014-06-10 From structure prediction to reaction pathways with the minima hopping method  ECMI 2832603
Showing records 1 - 20 (of 35)


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30/04/2024