1. qcscine/kinetx: Release 1.0.0 

   Proppe, Jonny; Reiher, Markus (2022)

   KiNetX is a fully automated kinetic modeler that takes careful account of uncertainty in reaction-network parameters (activation free energies or rate constants). The KiNetX meta-algorithm comprises systematic mechanism reduction, uncertainty propagation, global sensitivity analysis, and more.

   Software

2. Effects of time-filtering the Navier-Stokes equations: Additional Material 

   Oberle, Daniel; Jenny, Patrick; Pruett, C. David (2022)

   Software

3. A software package of Unity to use HTC VIVE Pro Eye, a head-mounted display with virtual reality technology, as an assessment tool of saccadic eye movement 

   Imaoka, Yu; Flury, Andri; de Bruin, Eling (2022)

   Software

4. Supplemental material to the paper "Computationally efficient robust MPC using optimized constraint tightening" 

   Parsi, Anil (2022)

   Software

5. Supplementary Software for "Self-Tuning Network Control Architectures" 

   Summers, Tyler H.; Hudoba de Badyn, Mathias (2022)

   Software

6. Supplementary material for the confrerence paper titled " Robust Adaptive Model Predictive Control of Quadrotors" 

   Didier, Alexandre (2021)

   Software

7. Software generating the model for "Fast AC Power Flow Optimization Using Difference of Convex Functions Programming" Merkli, S. et al. 

   Merkli, Sandro (2022)

   Software

8. Physically Consistent Neural Networks for building thermal models 

   Di Natale, Loris (2022)

   Software

9. Deep Reinforcement Learning for room temperature control: a black-box pipeline from data to policies 

   Di Natale, Loris (2021)

   Software

10. Script for the seismic response of a planar rocking block under horizontal and vertical excitation 

    Vassiliou, Michalis F. (2022)

    Software

11. FLUKA user routines for spectral detector response simulations 

    Breitenmoser, David (2022)

    This software set contains user routines for spectral detector response simulations using the multi-purpose Monte Carlo code FLUKA version 4.2.1. For more information, please refer to the accompanying publication. Please cite the following publication, if you are using the user routines: Breitenmoser, D., Butterweck, G.,Kasprza, M., Yukihara, E. G., Mayer, S.: Experimental and Simulated Spectral Gamma-Ray Response of a NaI(Tl) Scintillation ...

    Software

12. CNN for mapping event landslides 

    Prakash, Nikhil (2021)

    Software

13. Code for mapping historic landslides in Oregon 

    Prakash, Nikhil (2020)

    Software

14. Code Supplement for Yin M., Iannelli A., Smith R.S. (2021). Maximum Likelihood Estimation in Data-Driven Modeling and Control. IEEE Transactions on Automatic Control. 

    Yin, Mingzhou (2021)

    Software

15. Blacksmith: Scalable Rowhammering in the Frequency Domain 

    Jattke, Patrick; van der Veen, Victor; Frigo, Pietro; et al. (2022)

    Software

16. Supplementary Software for "H∞ network optimization for edge consensus" 

    Hudoba de Badyn, Mathias; Farhat, Omar (2021)

    Software

17. Supplemental material to the paper "Regularized classification and simulation of bifurcation regimes in nonlinear systems" 

    Iannelli, Andrea; Ozan, Defne Ege (2021)

    Software

18. Script for the seismic response of a planar rocking block 

    Vassiliou, Michalis F. (2021)

    A Matlab script to compute the seismic response of a planar rocking block

    Software

19. qcscine/utilities: Release 4.0.0 

    Bosia, Francesco; Brunken, Christoph; Csizi, Katja-Sophia; et al. (2021)

    Changes: Improve GDIIS: numerical stability Improve BFGS: add automatic damping Improve EVF and Bofill: allows to select mode and follows mode independent of order Add periodic boundary conditions Add support for CP2K Improve Gaussian interface: allows to reuse SCF results as guesses in subsequent calculations and to retrieve molecular orbital coefficients Add support for Turbomole Improve MD: Fix a bug regarding the time step size, check ...

    Software

20. qcscine/sparrow: Release 3.0.0 

    Bosia, Francesco; Husch, Tamara; Müller, Charlotte H.; et al. (2021)

    Changes: Excited-state calculations with NDDO-CIS and TD-DFTB Added a binary for the calculation of IR and UV/Vis spectra of trajectories Orbital steering calculations possible with binary (using a single system, single point) and Python bindings (can handle an individual system and systems along a trajectory) Can now set symmetry number for thermodynamics calculation Added density matrix RMSD SCF convergence check Calculate atomic second ...

    Software

View more