Physics and Modeling of Turbulent Boundary Layer Flows Under Strong Pressure Gradients Events 12/14/2020
CAB-MPI: exploring interprocess work-stealing towards balanced MPI communication Publications SC '20: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
First-Principles Calculation of Electroweak Box Diagrams from Lattice QCD Publications Physical Review Letters
Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore Publications Nanoscale
A machine learning workflow for molecular analysis: application to melting points Publications Machine Learning: Science and Technology
DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning Publications The Journal of Physical Chemistry C
Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide Publications Computational Materials
Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling Publications Nature Communications
The CECAM electronic structure library and the modular software development paradigm featured Publications Journal of Chemical Physics
Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond Publications Journal of Chemical Physics