Gábor Csányi

According to our database1, Gábor Csányi authored at least 8 papers between 2007 and 2020.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2020
Symmetry-Aware Actor-Critic for 3D Molecular Design.
CoRR, 2020

An Experimentally Driven Automated Machine Learned lnter-Atomic Potential for a Refractory Oxide.
CoRR, 2020

2019
Approximation of Potential Energy Surfaces with Spherical Harmonics.
CoRR, 2019

Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide.
CoRR, 2019

2016
Exploiting molecular dynamics in Nested Sampling simulations of small peptides.
Comput. Phys. Commun., 2016

2015
The adaptive buffered force QM/MM method in the CP2K and AMBER software packages.
J. Comput. Chem., 2015

2011
Diffusive nested sampling.
Stat. Comput., 2011

2007
Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties.
J. Chem. Inf. Model., 2007


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