ERD

Coherent Electronic Transport in Periodic Crystals

Project: EMC2

Updated at: 01-12-2025

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Project acronym EMC2

Overdamped limit at stationarity for non-equilibrium Langevin diffusions

Project: EMC2

Updated at: 01-12-2025

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Project acronym EMC2

Randomized Gram--Schmidt Process with Application to GMRES

Project: EMC2

Updated at: 01-12-2025

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Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath.

Project: EMC2

Updated at: 01-12-2025

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Project acronym EMC2

A probabilistic study of the kinetic Fokker–Planck equation in cylindrical domains

Project: EMC2

Updated at: 01-12-2025

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Multiple projection MCMC algorithms on submanifolds

Project: EMC2

Updated at: 01-12-2025

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Project acronym EMC2

Enforcing local DNA kinks by sequence-selective trisintercalating oligopeptides of a tricationic porphyrin. A polarizabl...

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Fixing the flux: A dual approach to computing transport coefficients

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Mini-batching error and adaptive Langevin dynamics

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Analyzing multimodal probability measures with autoencoders

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition ...

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-Polarizable Force Fields.

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Optimal friction matrix for underdamped Langevin sampling

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Recent advances in accelerated molecular dynamics methods: Theory and applications

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Incorporating Neural Networks into the AMOEBA Polarizable Force Field

Project: EMC2

Updated at: 01-12-2024

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Sparse Quantum State Preparation for Strongly Correlated Systems

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications

Project: EMC2

Updated at: 01-12-2024

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Project acronym EMC2

Periodic Reporting for period 3 - EMC2 (Extreme-scale Mathematically-based Computational Chemistry)

Project: EMC2

Updated at: 01-10-2024

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Project acronym EMC2

The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular Systems

Project: EMC2

Updated at: 01-07-2024

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Project acronym EMC2

Quantifying the mini-batching error in Bayesian inference for Adaptive Langevin dynamics

Project: EMC2

Updated at: 01-07-2024

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Extending the regime of linear response with synthetic forcings

Project: EMC2

Updated at: 01-07-2024

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On basis set optimisation in quantum chemistry

Project: EMC2

Updated at: 01-07-2024

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Open source variational quantum eigensolver extension of the quantum learning machine for quantum chemistry

Project: EMC2

Updated at: 27-04-2024

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A New Way for Probing Bond Strength

Project: EMC2

Updated at: 27-04-2024

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Project acronym EMC2

Martingale product estimators for sensitivity analysis in computational statistical physics Get access Arrow

Project: EMC2

Updated at: 27-04-2024

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Project acronym EMC2

An overview of a posteriori error estimation and post-processingmethods for nonlinear eigenvalue problems G Dusson

Project: EMC2

Updated at: 27-04-2024

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Project acronym EMC2

Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: from Force Fields to Machine Learning Potentia...

Project: EMC2

Updated at: 27-04-2024

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Project acronym EMC2

Convergence of the likelihood ratio method for linear response of non-equilibrium stationary states

Project: EMC2

Updated at: 27-04-2024

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Project acronym EMC2

Overlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze

Project: EMC2

Updated at: 27-04-2024

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Project acronym EMC2

Van der Waals interactions between two hydrogen atoms: The next orders

Project: EMC2

Updated at: 27-04-2024

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