Search Results - Thaler, Stephan

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  1. 1
    Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

    Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting by Thaler, Stephan, Zavadlav, Julija

    Published in Nature communications
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  2. 2
    Development of a Temperature Management System for Battery Packs Using Phase Change Materials and Additive Manufacturing Options

    Development of a Temperature Management System for Battery Packs Using Phase Change Materials and Additive Manufacturing Options by Thaler, Stephan M., Zwatz, Josef, Zettel, Dominic, Hauser, Robert, Lackner, Roman

    Published in Applied sciences
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  3. 3
    An Innovative Heating Solution for Sustainable Agriculture: A Feasibility Study on the Integration of Phase Change Materials as Passive Heating Elements

    An Innovative Heating Solution for Sustainable Agriculture: A Feasibility Study on the Integration of Phase Change Materials as Passive Heating Elements by Thaler, Stephan M, Zwatz, Josef, Nicolay, Pascal, Hauser, Robert, Lackner, Roman

    Published in Applied sciences
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  4. 4
    JaxSGMC: Modular stochastic gradient MCMC in JAX

    JaxSGMC: Modular stochastic gradient MCMC in JAX by Thaler, Stephan, Fuchs, Paul, Cukarska, Ana, Zavadlav, Julija

    Published in SoftwareX
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  5. 5
    Active learning graph neural networks for partial charge prediction of metal-organic frameworks via dropout Monte Carlo

    Active learning graph neural networks for partial charge prediction of metal-organic frameworks via dropout Monte Carlo by Thaler, Stephan, Mayr, Felix, Thomas, Siby, Gagliardi, Alessio, Zavadlav, Julija

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  6. 6
    Smart Materials for Green(er) Cities, a Short Review

    Smart Materials for Green(er) Cities, a Short Review by Nicolay, Pascal, Schlögl, Sandra, Thaler, Stephan Mark, Humbert, Claude, Filipitsch, Bernd

    Published in Applied sciences
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  7. 7
    Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls

    Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls by Thaler, Stephan, Doehner, Gregor, Zavadlav, Julija

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  8. 8
    Sparse identification of truncation errors

    Sparse identification of truncation errors by Thaler, Stephan, Paehler, Ludger, Adams, Nikolaus A.

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  9. 9
    Deep coarse-grained potentials via relative entropy minimization

    Deep coarse-grained potentials via relative entropy minimization by Thaler, Stephan, Stupp, Maximilian, Zavadlav, Julija

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  10. 10
    Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

    Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting by Thaler, Stephan, Zavadlav, Julija

    Published in arXiv.org
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  11. 11
    Deep Coarse-grained Potentials via Relative Entropy Minimization

    Deep Coarse-grained Potentials via Relative Entropy Minimization by Thaler, Stephan, Stupp, Maximilian, Zavadlav, Julija

    Published in arXiv.org
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  12. 12
    Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls

    Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls by Thaler, Stephan, Doehner, Gregor, Zavadlav, Julija

    Published in arXiv.org
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  13. 13
    Sparse Identification of Truncation Errors

    Sparse Identification of Truncation Errors by Thaler, Stephan, Paehler, Ludger, Adams, Nikolaus A

    Published in arXiv.org
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  14. 14
    Implicit Delta Learning of High Fidelity Neural Network Potentials

    Implicit Delta Learning of High Fidelity Neural Network Potentials by Thaler, Stephan, Gabellini, Cristian, Shenoy, Nikhil, Prudencio Tossou

    Published in arXiv.org
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  15. 15
    chemtrain: Learning Deep Potential Models via Automatic Differentiation and Statistical Physics

    chemtrain: Learning Deep Potential Models via Automatic Differentiation and Statistical Physics by Fuchs, Paul, Thaler, Stephan, Röcken, Sebastien, Zavadlav, Julija

    Published in arXiv.org
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  16. 16
    Adding a Touch of Class to Kitchen Appliances

    Adding a Touch of Class to Kitchen Appliances by Thaler, Stephan, Solomon, Chad

    Published in Appliance Design
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  17. 17
    OpenQDC: Open Quantum Data Commons

    OpenQDC: Open Quantum Data Commons by Gabellini, Cristian, Shenoy, Nikhil, Thaler, Stephan, Canturk, Semih, McNeela, Daniel, Beaini, Dominique, Bronstein, Michael, Prudencio Tossou

    Published in arXiv.org
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  18. 18
    ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation

    ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation by Hassan, Majdi, Shenoy, Nikhil, Lee, Jungyoon, Stark, Hannes, Thaler, Stephan, Beaini, Dominique

    Published in arXiv.org
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  19. 19
    Adding a Touch of Class to Kitchen Appliances: With the right touch controller, appliances can provide internet connectivity and have noise immunity, moisture immunity and glove support

    Adding a Touch of Class to Kitchen Appliances: With the right touch controller, appliances can provide internet connectivity and have noise immunity, moisture immunity and glove su... by Thaler, Stephan, Solomon, Chad

    Published in Appliance design
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  20. 20
    Amplatzer Amulet Left Atrial Appendage Occluder Versus Watchman Device for Stroke Prophylaxis (Amulet IDE): A Randomized, Controlled Trial

    Amplatzer Amulet Left Atrial Appendage Occluder Versus Watchman Device for Stroke Prophylaxis (Amulet IDE): A Randomized, Controlled Trial by Lakkireddy, Dhanunjaya, Thaler, David, Ellis, Christopher R., Swarup, Vijendra, Sondergaard, Lars, Carroll, John, Gold, Michael R., Hermiller, James, Diener, Hans-Christoph, Schmidt, Boris, MacDonald, Lee, Mansour, Moussa, Maini, Brijeshwar, O’Brien, Laura, Windecker, Stephan

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