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11
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Physical Sciences and Engineering
Computational Chemistry Made Easy
Bringing concepts from distributed computing and bioinformatics to the field of computational...
- Computational Chemistry
- Workflow technologies
Dec 2014 - Dec 2017
233
10
Physical Sciences and Engineering
MULTIXMAS
Multiscale simulations of excitation dynamics in molecular materials for sustainable energy applications
- Computational Chemistry
- High performance computing
- JCER
- + 1
Dec 2017 - Dec 2022
87
31
Physical Sciences and Engineering
A light in the dark
Quantum Monte Carlo meets solar energy conversion
- Computational Chemistry
- GPU
- JCER
- + 1
Dec 2017 - Dec 2022
42
16
Life Sciences, Physical Sciences and Engineering
Enhancing Protein-Drug Binding Prediction
Combining molecular simulation and eScience technologies
- Computational Chemistry
- Graphs
- molecular dynamics
- + 1
Dec 2015 - Mar 2019
41
31
Physical Sciences and Engineering
Scalable high-fidelity simulations of reacting multiphase flows at transcritical pressure
Solving a scalability problem through dynamic multi-level parallelization
- Computational Chemistry
- Computational Fluid Dynamics (CFD)
- High performance computing
- + 2
Dec 2017 - Mar 2022
34
9