Maciej Haranczyk
Orcid: 0000-0001-7146-9568Affiliations:
- IMDEA Materials Institute, Madrid, Spain
According to our database1,
Maciej Haranczyk
authored at least 18 papers
between 2007 and 2024.
Collaborative distances:
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Bibliography
2024
CoRR, 2024
2020
Robust Topological Descriptors for Machine Learning Prediction of Guest Adsorption in Nanoporous Materials.
CoRR, 2020
2018
Comput. Phys. Commun., 2018
2016
Comput. Phys. Commun., 2016
2015
PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds.
Comput. Phys. Commun., 2015
2012
Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials.
J. Chem. Inf. Model., 2012
Combinatorial × Computational × Cheminformatics (C<sup>3</sup>) Approach to Characterization of Congeneric Libraries of Organic Pollutants.
J. Chem. Inf. Model., 2012
Accelerating analysis of void space in porous materials on multicore and GPU platforms.
Int. J. High Perform. Comput. Appl., 2012
2011
Comput. Graph. Forum, 2011
2010
Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials.
J. Chem. Inf. Model., 2010
Combinatorial-computational-chemoinformatics (C<sup>3</sup>) approach to finding and analyzing low-energy tautomers.
J. Comput. Aided Mol. Des., 2010
2009
Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance.
Stat. Anal. Data Min., 2009
Comparison of Nonbinary Similarity Coefficients for Similarity Searching, Clustering and Compound Selection.
J. Chem. Inf. Model., 2009
Comparison of some representative density functional theory and wave function theory methods for the studies of amino acids.
J. Comput. Chem., 2009
2008
Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?
J. Chem. Inf. Model., 2008
J. Chem. Inf. Model., 2008
Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine.
J. Comput. Chem., 2008
2007
Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program.
J. Chem. Inf. Model., 2007