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A. Vasylenko, D. Antypov, S. Schewe et. al.
"Digital features of chemical elements extracted from local geometries in crystal structures",
Digital Discovery, 4, 477 (2025)
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M. Moran, M.W. Gaultois, V.V. Gusev et. al.
"Establishing Deep InfoMax as an effective self-supervised learning methodology in materials informatics",
Digital Discovery, 4, 790 (2025)
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D. Markad, L.J. Kershaw Cook, R. Pétuya et. al.
"Recognition and order of multiple sidechains by metal–organic framework enhances the separation of hexane isomers", Angewandte Chemie, 63, e202411960 (2024)
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D. Antypov, C.M. Collins, A. Vasylenko et. al.
"Statistically derived proxy potentials accelerate geometry optimization of crystal structures",
ChemPhysChem, 25, e202400254 (2024)
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G. Han, A. Vasylenko, L.M. Daniels et. al.
"Superionic lithium transport via multiple coordination environments defined by two-anion packing",
Science, 383, 739 (2024)
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C. Zhang, D. Antypov, M.J. Rosseinsky, M.S. Dyer
"Accelerating metal–organic framework discovery via synthesisability prediction: the MFD evaluation method for one-class classification models",
Digital Discovery, 3, 2509 (2024)
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A. Vasylenko, D. Antypov, V.V. Gusev et. al.
"Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties",
npj Computational Materials, 9(1), 164 (2023)
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V.V. Gusev, D. Adamson, A. Deligkas et. al.
"Optimality guarantees for crystal structure prediction",
Nature, 619 (7968), 68 (2023)
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E. Zamaraeva, C.M. Collins, D. Antypov et. al.
"Reinforcement Learning in Crystal Structure Prediction",
Digital Discovery, 2, 1831 (2023)
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R. Pétuya, S. Durdy, D. Antypov et. al.
"Machine-Learning Prediction of Metal–Organic Framework Guest Accessibility from Linker and Metal Chemistry",
Angewandte Chemie Int. Ed., 61, e202114573 (2022)
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A.M. Tollitt, R. Vismara, L.M. Daniels et. al.
"High-Throughput Discovery of a Rhombohedral Twelve-Connected Zirconium-Based Metal-Organic Framework with Ordered Terephthalate and Fumarate Linkers",
Angewandte Chemie Int. Ed., 133, 27145 (2021)
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D. Antypov, A. Shkurenko, P.M. Bhatt et. al.
"Differential guest location by host dynamics enhances propylene-propane separation in a metal-organic framework",
Nat. Comms, 11, 6099 (2020)
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Y. Pramudya, S. Bonakala, D. Antypov et. al.
"High-Throughput Screening of Metal-Organic Frameworks for Kinetic Separation of Propane and Propene",
PCCP 22 (40), 23073-23082 (2020)
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Y. Yan, E.J. Carrington, R. Pétuya et. al.
"Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests",
JACS, 142 (35), 14903–14913 (2020)
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E.J. Carrington, R. Pétuya, R.K. Hylton et. al.
"The Anisotropic Responses of a Flexible Metal–Organic Framework Constructed from Asymmetric Flexible Linkers and Heptanuclear Zinc Carboxylate Secondary Building Units",
Cryst. Growth Des, 19, 5604 (2019)
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A.P. Katsoulidis, D. Antypov, G.F.S. Whitehead et. al.
"Chemical control of structure and guest uptake by a conformationally mobile porous material",
Nature, 565, 213 (2019)
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D. Stewart, D. Antypov, M.S. Dyer et. al.
"Stable and ordered amide frameworks synthesised under reversible conditions which facilitate error checking",
Nature Communications, 8, 1102 (2017)
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F. Denis Romero, M.J. Pitcher, C.I. Hiley et. al.
"Redox-controlled potassium intercalation into two polyaromatic hydrocarbon solids",
Nature Chemistry, 9, 644 (2017)
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J. Navarro-Sánchez, A.I. Argente-García, Y. Moliner-Martínez et. al.
"Peptide Metal–Organic Frameworks for Enantioselective Separation of Chiral Drugs",
J. Am. Chem. Soc., 139, 4294 (2017)
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S.B. Kalidindi, S.N. Nayak, M.E. Briggs et. al.
"Chemical and Structural Stability of Zirconium-based Metal-Organic Frameworks with Large Three-Dimensional Pores by Linker Engineering",
Angewandte Chemie Int. Ed., 54, 221 (2015)
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C. Marti-Gastaldo, D. Antypov, J.E. Warren et. al.
"Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding",
Nature Chemistry, 6, 343 (2014)
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A.P. Katsoulidis, K.S. Park, D. Antypov et. al.
"Guest-Adaptable and Water-Stable Peptide-Based Porous Materials by Imidazolate Side Chain Control",
Angewandte Chemie Int. Ed., 53, 193 (2014)
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D. Antypov, J.A. Elliott,
"Effect of particle size on energy dissipation in viscoelastic granular collisions",
Physical Review E, 84, 021303 (2011)
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D. Antypov, J.A. Elliott,
"On an analytical solution for the damped Hertzian spring",
Europhysics Letters, 94, 50004 (2011)
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D. Antypov, J.A. Elliott,
"Computer simulation study of a single polymer chain in an attractive solvent",
Journal of Chemical Physics, 129, 174901 (2008)
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D. Antypov, J.A. Elliott,
"Wang-Landau Simulation of Polymer-Nanoparticle Mixtures",
Macromolecules, 41 (19), 7243 (2008)
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D. Antypov, C. Holm,
"Osmotic coefficient calculations for dilute solutions of short stiff-chain polyelectrolytes",
Macromolecules, 40 (3), 731 (2007)
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D. Antypov, C. Holm,
"The osmotic behavior of short stiff polyelectrolytes",
Macromolecular Symposia, 245, 297 (2006)
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D. Antypov, C. Holm,
"Optimal cell approach to osmotic properties of finite stiff-chain polyelectrolytes",
Physical Review Letters, 96 (8), 088302 (2006)
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D. Antypov, M.C. Barbosa, C. Holm,
"Incorporation of excluded-volume correlations into Poisson-Boltzmann theory",
Physical Review E, 71 (6), 061106 (2005)
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D. Antypov, D.J. Cleaver,
"The effect of spherical additives on a liquid crystal colloid",
Journal of Physics - Condensed Matter, 16 (19), S1887 (2004)
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D. Antypov, D.J. Cleaver,
"The role of attractive interactions in rod-sphere mixtures",
Journal of Chemical Physics, 120 (21), 10307 (2004)
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D. Antypov, D.J. Cleaver,
"Orientational and phase-coexistence behaviour of hard rod-sphere mixtures",
Chemical Physics Letters, 377 (3-4), 311 (2003)
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