Maciej Haranczyk

20 papers Journal 20
YearRankTypeTitle / Venue / Authors
2025 J jnl
Noise-Aware Optimization in Nominally Identical Manufacturing and Measuring Systems for High-Throughput Parallel Workflows.
CoRR
Christina Schenk, Miguel Hernández-del-Valle, Luis Calero-Lumbreras, Marcus Noack, Maciej Haranczyk
2024 J jnl
Model-Based Reinforcement Learning Control of Reaction-Diffusion Problems.
CoRR
Christina Schenk, Aditya Vasudevan, Maciej Haranczyk, Ignacio Romero
2024 J jnl
tda-segmentor: A tool to extract and analyze local structure and porosity features in porous materials.
Comput. Phys. Commun.
Aditya Vasudevan, Jorge Zorrilla Prieto, Sergei Zorkaltsev, Maciej Haranczyk
2020 J jnl
Robust Topological Descriptors for Machine Learning Prediction of Guest Adsorption in Nanoporous Materials.
CoRR
Aditi S. Krishnapriyan, Maciej Haranczyk, Dmitriy Morozov
2018 J jnl
PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators.
Comput. Phys. Commun.
Danny Broberg, Bharat Medasani, Nils E. R. Zimmermann, Guodong Yu, Andrew Canning, Maciej Haranczyk, Mark Asta, Geoffroy Hautier
2016 J jnl
pyIAST: Ideal adsorbed solution theory (IAST) Python package.
Comput. Phys. Commun.
Cory M. Simon, Berend Smit, Maciej Haranczyk
2015 J jnl
PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds.
Comput. Phys. Commun.
Hong Ding, Bharat Medasani, Wei Chen, Kristin A. Persson, Maciej Haranczyk, Mark Asta
2012 J jnl
Accelerating analysis of void space in porous materials on multicore and GPU platforms.
Int. J. High Perform. Comput. Appl.
Richard L. Martin, Prabhat, David Donofrio, James A. Sethian, Maciej Haranczyk
2012 J jnl
Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials.
J. Chem. Inf. Model.
Richard L. Martin, Berend Smit, Maciej Haranczyk
2012 J jnl
Combinatorial × Computational × Cheminformatics (C
J. Chem. Inf. Model.
Maciej Haranczyk, Piotr Urbaszek, Esmond G. Ng, Tomasz Puzyn
2011 J jnl
Topology-based Visualization of Transformation Pathways in Complex Chemical Systems.
Comput. Graph. Forum
Kenes Beketayev, Gunther H. Weber, Maciej Haranczyk, Peer-Timo Bremer, Mario Hlawitschka, Bernd Hamann
2010 J jnl
Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials.
J. Chem. Inf. Model.
Kevin Theisen, Berend Smit, Maciej Haranczyk
2010 J jnl
Combinatorial-computational-chemoinformatics (C
J. Comput. Aided Mol. Des.
Maciej Haranczyk, Maciej Gutowski
2009 J jnl
Comparison of Nonbinary Similarity Coefficients for Similarity Searching, Clustering and Compound Selection.
J. Chem. Inf. Model.
Aysha Al Khalifa, Maciej Haranczyk, John D. Holliday
2009 J jnl
Comparison of some representative density functional theory and wave function theory methods for the studies of amino acids.
J. Comput. Chem.
Wenbo Yu, Lei Liang, Zijing Lin, Sanliang Ling, Maciej Haranczyk, Maciej Gutowski
2009 J jnl
Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance.
Stat. Anal. Data Min.
Eleanor J. Gardiner, Valerie J. Gillet, Maciej Haranczyk, Jérôme Hert, John D. Holliday, Nurul Malim, Yogendra Patel, Peter Willett
2008 J jnl
Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?
J. Chem. Inf. Model.
Tomasz Puzyn, Noriyuki Suzuki, Maciej Haranczyk, Janusz Rak
2008 J jnl
Comparison of Similarity Coefficients for Clustering and Compound Selection.
J. Chem. Inf. Model.
Maciej Haranczyk, John D. Holliday
2008 J jnl
Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine.
J. Comput. Chem.
Maciej Haranczyk, John D. Holliday, Peter Willett, Maciej Gutowski
2007 J jnl
Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program.
J. Chem. Inf. Model.
Maciej Haranczyk, Maciej Gutowski