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The Innovation Materials
@Innov_Materials
31 May 2022
J Chem. Theory Comput. Exploration vs Convergence Speed in Adaptive-Bias #EnhancedSampling @inve_michele @GroupParrinello @JCIM_JCTC #BiasedSampling #moleculardynamics #collectivevariables #PhaseSpace pubs.acs.org/doi/10.1021/acs…

Exploration vs Convergence Speed in Adaptive-Bias Enhanced Sampling

In adaptive-bias enhanced sampling methods, a bias potential is added to the system to drive transitions between metastable states. The bias potential is a function of a few collective variables and...

pubs.acs.org
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The Innovation Materials
@Innov_Materials
30 May 2022
J Chem. Theory Comput. Learning Efficient, Collective #MonteCarlo Moves with #VariationalAutoencoders @JCIM_JCTC #autoencoders #collectivevariables #EnhancedSampling #BiasedSampling pubs.acs.org/doi/10.1021/acs…

Learning Efficient, Collective Monte Carlo Moves with Variational Autoencoders

Discovering meaningful collective variables for enhancing sampling, via applied biasing potentials or tailored MC move sets, remains a major challenge within molecular simulation. While recent...

pubs.acs.org
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Catherine@drcatherineq
30 Apr 2022
I guess one could argue that James Campbell’s research on the wages of waiting staff from posh restaurants needs to be in the sample somewhere… #biasedsampling #insiders #tellthefullstory
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Marmajčica@marmajcica
24 Feb 2020
This is what happens when doctors play statisticians for a day in a country without proper journalism. #coronavirus #biasedsampling
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Entropy MDPI@Entropy_MDPI
16 Sep 2019
#mdpientropy Thermodynamics Beyond Molecules: Statistical Thermodynamics of Probability Distributions mdpi.com/1099-4300/21/9/890 #statisticalthermodynamics #statisticalmechanics #biasedsampling #most probable distribution
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Giuseppe Carleo@gppcarleo
4 Sep 2019
Looking at my Tweet feed today I can comfortably deduce that the acceptance rate for @NeurIPSConf papers is close to 100% this year :) #biasedsampling
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