Gabor Csanyi: search on Z-Library

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1

Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions

Cisneros, Gerardo Andrés, Wikfeldt, Kjartan Thor, Ojamäe, Lars, Lu, Jibao, Xu, Yao, Torabifard, Hedieh, Bartók, Albert P., Csányi, Gábor, Molinero, Valeria, Paesani, Francesco

Journal:

Chemical Reviews

Year:

2016

Language:

english

File:

PDF, 6.48 MB

english, 2016

2

Machine learning based interatomic potential for amorphous carbon

Deringer, Volker L., Csányi, Gábor

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 2.74 MB

english, 2017

3

Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and DFT

Deringer, Volker L., Caro, Miguel A., Jana, Richard, Aarva, Anja, Elliott, Stephen R., Laurila, Tomi, Csányi, Gábor, Pastewka, Lars

Journal:

Chemistry of Materials

Year:

2018

Language:

english

File:

PDF, 1.38 MB

english, 2018

4

Hydrogen induced fast-fracture

Shishvan, Siamak S., Csányi, Gábor, Deshpande, Vikram S.

Journal:

Journal of the Mechanics and Physics of Solids

Year:

2020

Language:

english

File:

PDF, 6.44 MB

english, 2020

5

Behavioral tactics control the energy costs of aggression: The example of Macropodus opercularis

József Haller, Ádám Miklósi, Vilmos Csányi, Gábor B. Makara

Journal:

Aggressive Behavior

Year:

1996

Language:

english

File:

PDF, 587 KB

english, 1996

6

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

Bartók, Albert P., Payne, Mike C., Kondor, Risi, Csányi, Gábor

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 398 KB

english, 2010

7

Advantages of cross-linked versus linear hyaluronic acid for semisolid skin delivery systems

Berkó, Szilvia, Maroda, Mónika, Bodnár, Magdolna, Erős, Gábor, Hartmann, Petra, Szentner, Kinga, Szabó-Révész, Piroska, Kemény, Lajos, Borbély, János, Csányi, Erzsébet

Journal:

European Polymer Journal

Year:

2013

Language:

english

File:

PDF, 606 KB

english, 2013

8

Machine-learning approach for one- and two-body corrections to density functional theory: Applications to molecular and condensed water

Bartók, Albert P., Gillan, Michael J., Manby, Frederick R., Csányi, Gábor

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 501 KB

english, 2013

9

Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties

Obrezanova, Olga, Csányi, Gábor, Gola, Joelle M. R., Segall, Matthew D.

Journal:

Journal of Chemical Information and Modeling

Year:

2007

Language:

english

File:

PDF, 218 KB

english, 2007

10

Accuracy and transferability of Gaussian approximation potential models for tungsten

Szlachta, Wojciech J., Bartók, Albert P., Csányi, Gábor

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 925 KB

english, 2014

11

Gaussian approximation potentials: A brief tutorial introduction

Bartók, Albert P., Csányi, Gábor

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 328 KB

english, 2015

12

Exploration, sampling and reconstruction of free energy surfaces with Gaussian process regression

Mones, Letif, Bernstein, Noam, Csányi, Gábor

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 2.88 MB

english, 2016

13

Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials

Sosso, Gabriele C., Deringer, Volker L., Elliott, Stephen R., Csányi, Gábor

Journal:

Molecular Simulation

Year:

2018

Language:

english

File:

PDF, 3.71 MB

english, 2018

14

Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures

Fujikake, So, Deringer, Volker L., Lee, Tae Hoon, Krynski, Marcin, Elliott, Stephen R., Csányi, Gábor

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.95 MB

english, 2018

15

Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

Nguyen, Thuong T., Székely, Eszter, Imbalzano, Giulio, Behler, Jörg, Csányi, Gábor, Ceriotti, Michele, Götz, Andreas W., Paesani, Francesco

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.04 MB

english, 2018

16

Data-driven learning and prediction of inorganic crystal structures

Deringer, Volker L., Proserpio, Davide M, Csanyi, Gabor, Pickard, Chris J.

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 7.43 MB

english, 2018

17

Nested Transition Path Sampling

Bolhuis, Peter G., Csányi, Gábor

Journal:

Physical Review Letters

Year:

2018

Language:

english

File:

PDF, 563 KB

english, 2018

18

AIP Conference Proceedings [Author(s) SHOCK COMPRESSION OF CONDENSED MATTER - 2017: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter - St. Louis, MO, USA (9–14 July 2017)] - Machine-learning based potential for iron: Plasticity and phase transition

Maillet, Jean-Bernard, Denoual, Christophe, Csányi, Gabor

Year:

2018

Language:

english

File:

PDF, 1.05 MB

english, 2018

19

Development of ibuprofen-loaded nanostructured lipid carrier-based gels: characterization and investigation of in vitro and in vivo penetration through the skin

Csányi, Erzsébet, Sütő, Blanka, Berkó, Szilvia, Kozma, Gábor, Kukovecz, Ákos, Budai-Szűcs, Mária, Erős, Gábor, Kemény, Lajos, Sztojkov-Ivanov, Anita, Gaspar, Robert

Journal:

International Journal of Nanomedicine

Year:

2016

Language:

english

File:

PDF, 2.46 MB

english, 2016

20

Equation of state of fluid methane from first principles with machine learning potentials

Veit, Max, Jain, Sandeep Kumar, Bonakala, Satyanarayana, Rudra, Indranil, Hohl, Detlef, Csányi, Gábor

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 1.64 MB

2019

21

Economic Analysis of Grid-Connected PV System Regulations: A Hungarian Case Study

Zsiborács, Henrik, Hegedűsné Baranyai, Nóra, Csányi, Szilvia, Vincze, András, Pintér, Gábor

Journal:

Year:

2019

Language:

english

File:

PDF, 6.54 MB

english, 2019

22

Machine-learned multi-system surrogate models for materials prediction

Nyshadham, Chandramouli, Rupp, Matthias, Bekker, Brayden, Shapeev, Alexander V., Mueller, Tim, Rosenbrock, Conrad W., Csányi, Gábor, Wingate, David W., Hart, Gus L. W.

Journal:

npj Computational Materials

Year:

2019

Language:

english

File:

PDF, 755 KB

english, 2019

23

First-principles study of alkali-metal intercalation in disordered carbon anode materials

Huang, Jian-Xing, Csányi, Gábor, Zhao, Jin-Bao, Cheng, Jun, Deringer, Volker L.

Journal:

Journal of Materials Chemistry A

Year:

2019

Language:

english

File:

PDF, 1.94 MB

english, 2019

24

Machine Learning Interatomic Potentials as Emerging Tools for Materials Science

Deringer, Volker L., Caro, Miguel A., Csányi, Gábor

Journal:

Advanced Materials

Year:

2019

File:

PDF, 4.91 MB

2019

25

Design and Optimization of Nanostructured Lipid Carrier Containing Dexamethasone for Ophthalmic Use

L. Kiss, Eszter, Berkó, Szilvia, Gácsi, Attila, Kovács, Anita, Katona, Gábor, Soós, Judit, Csányi, Erzsébet, Gróf, Ilona, Harazin, András, Deli, Mária A., Budai-Szűcs, Mária

Journal:

Year:

2019

File:

PDF, 1.79 MB

2019

26

A Performance and Cost Assessment of Machine Learning Interatomic Potentials

Zuo, Yunxing, Chen, Chi, Li, Xiang-Guo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V., Thompson, Aidan P., Wood, Mitchell A., Ong, Shyue Ping

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 4.09 MB

2020

27

Mapping Materials and Molecules

Cheng, Bingqing, Griffiths, Ryan-Rhys, Wengert, Simon, Kunkel, Christian, Stenczel, Tamas, Zhu, Bonan, Deringer, Volker L., Bernstein, Noam, Margraf, Johannes T., Reuter, Karsten, Csanyi, Gabor

Journal:

Accounts of Chemical Research

Year:

2020

File:

PDF, 7.33 MB

2020

28

ChemInform Abstract: New Synthetic Approach to Pyridazino[4,5-b]indoles by Pd(0)-Catalyzed Cross-Coupling Reaction.

Gabor Krajsovszky, Peter Matyus, Zsuzsanna Riedl, Dorottya Csanyi, Gyoergy Hajos

Journal:

Year:

2001

File:

PDF, 31 KB

2001

29

A Novel Quantum/Classical Hybrid Simulation Technique

Mike C. Payne, Gábor Csányi, Tristan Albaret, Alessandro De Vita

Journal:

Year:

2005

Language:

english

File:

PDF, 204 KB

english, 2005

30

Preparation and investigation of a cross-linked hyaluronan nanoparticles system

Mónika Maroda, Magdolna Bodnár, Szilvia Berkó, József Bakó, Gábor Erős, Erzsébet Csányi, Piroska Szabó-Révész, John F. Hartmann, Lajos Kemény, János Borbély

Journal:

Carbohydrate Polymers

Year:

2011

Language:

english

File:

PDF, 1.12 MB

english, 2011

31

Prediction of adsorption and separation of water–alcohol mixtures with zeolite NaA

Gábor Rutkai, Éva Csányi, Tamás Kristóf

Journal:

Microporous and Mesoporous Materials

Year:

2008

Language:

english

File:

PDF, 550 KB

english, 2008

32

Accurate hyperfine couplings for C59N

Gábor Csányi, T.A Arias

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002

33

Investigation of the catalytic behavior of ion-pair complexes of vanadium(V) in the liquid-phase oxidation of hydrocarbons with molecular O2

László J. Csányi, Károly Jáky, Gábor Galbács

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2000

Language:

english

File:

PDF, 203 KB

english, 2000

34

Oxidation of hydrocarbons by O2 in the presence of VO(acac)2 as catalyst

László J. Csányi, Károly Jáky, Gábor Galbács

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2002

Language:

english

File:

PDF, 90 KB

english, 2002

35

Nanomechanical Investigation of Mo6S9−xIx Nanowire Bundles

Andras Kis, Gábor Csanyi, Daniel Vrbanic, Ales Mrzel, Dragan Mihailovic, Andrezj Kulik, Lázsló Forró

Journal:

Year:

2007

Language:

english

File:

PDF, 316 KB

english, 2007

36

NO and PGI2in coronary endothelial dysfunction in transgenic mice with dilated cardiomyopathy

Lukasz Drelicharz, Valery Kozlovski, Tomasz Skorka, Sylwia Heinze-Paluchowska, Andrzej Jasinski, Anna Gebska, Tomasz Guzik, Rafal Olszanecki, Leszek Wojnar, Ulrike Mende, Gabor Csanyi, Stefan Chlopick

Journal:

Basic Research in Cardiology

Year:

2008

Language:

english

File:

PDF, 433 KB

english, 2008

37

Thermoanalytical method for predicting the hydration effect permanency of dermal semisolid preparations

Eszter Csizmazia, Mária Budai-Szűcs, István Erős, Zsolt Makai, Piroska Szabó-Révész, Gábor Varju, Erzsébet Csányi

Journal:

Journal of Thermal Analysis and Calorimetry

Year:

2010

Language:

english

File:

PDF, 289 KB

english, 2010

38

Diffusive nested sampling

Brendon J. Brewer, Livia B. Pártay, Gábor Csányi

Journal:

Statistics and Computing

Year:

2011

Language:

english

File:

PDF, 465 KB

english, 2011

39

Metapopulation dynamics across gradients – the relation between colonization and extinction in shaping the range edge

Beáta Oborny, Jeromos Vukov, Gábor Csányi, Géza Meszéna

Journal:

Year:

2009

Language:

english

File:

PDF, 234 KB

english, 2009

40

The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds

Csányi, Gábor, Littlewood, P. B., Nevidomskyy, Andriy H., Pickard, Chris J., Simons, B. D.

Journal:

Year:

2005

Language:

english

File:

PDF, 281 KB

english, 2005

41

Improvement of the ecological water qualification system of rivers based on the first results of the Hungarian phytobenthos surveillance monitoring

Várbíró, Gábor, Borics, Gábor, Csányi, Béla, Fehér, Gizella, Grigorszky, István, Kiss, Keve Tihamér, Tóth, Adrienne, Ács, Éva

Journal:

Year:

2012

Language:

english

File:

PDF, 576 KB

english, 2012

42

Chemically Active Substitutional Nitrogen Impurity in Carbon Nanotubes

Nevidomskyy, Andriy, Csányi, Gábor, Payne, Michael

Journal:

Physical Review Letters

Year:

2003

Language:

english

File:

PDF, 925 KB

english, 2003

43

NADPH oxidase inhibitors: a decade of discovery from Nox2ds to HTS

Cifuentes-Pagano, Eugenia, Csanyi, Gabor, Pagano, Patrick J.

Journal:

Cellular and Molecular Life Sciences

Year:

2012

Language:

english

File:

PDF, 404 KB

english, 2012

44

Ticlopidine attenuates progression of atherosclerosis in apolipoprotein E and low density lipoprotein receptor double knockout mice

Jacek Jawien, Gabor Csanyi, Mariusz Gajda, Lukasz Mateuszuk, Magdalena Lomnicka, Ryszard Korbut, Stefan Chlopicki

Journal:

European Journal of Pharmacology

Year:

2007

Language:

english

File:

PDF, 1.35 MB

english, 2007

45

NOX and inflammation in the vascular adventitia

Gábor Csányi, W. Robert Taylor, Patrick J. Pagano

Journal:

Free Radical Biology and Medicine

Year:

2009

Language:

english

File:

PDF, 591 KB

english, 2009

46

Thrombospondin-1 and Oxidative Stress-Mediated Vascular Dysfunction

Gabor Csanyi, Mingyi Yao, Imad Al Ghouleh, Jeff S. Isenberg, Patrick J. Pagano

Journal:

Free Radical Biology and Medicine

Year:

2010

Language:

english

File:

PDF, 311 KB

english, 2010

47

Obesity-induced Endothelial Dysfunction and Vascular Oxidative Stress: Contributions of Xanthine Oxidase

Nicholas K.H. Khoo, Gabor Csanyi, Gustavo R. Bonacci, Bruce A. Freeman, Eric E. Kelley

Journal:

Free Radical Biology and Medicine

Year:

2010

Language:

english

File:

PDF, 297 KB

english, 2010

48

Nox2 B-loop peptide, Nox2ds, specifically inhibits the NADPH oxidase Nox2

Gábor Csányi, Eugenia Cifuentes-Pagano, Imad Al Ghouleh, Daniel J. Ranayhossaini, Loreto Egaña, Lucia R. Lopes, Heather M. Jackson, Eric E. Kelley, Patrick J. Pagano

Journal:

Free Radical Biology and Medicine

Year:

2011

Language:

english

File:

PDF, 637 KB

english, 2011

49

Novel TSP1-CD47-mediated Macrophage Reactive Oxygen Species Generation and Foam Cell Formation

Gabor Csanyi, Eric E. Kelley, Jeffrey S. Isenberg, Patrick J. Pagano

Journal:

Free Radical Biology and Medicine

Year:

2011

Language:

english

File:

PDF, 71 KB

english, 2011

50

Pathophysiological Concentrations of H2O2 Induce NADPH Oxidase 1 (Nox1)- and Apoptosis Signal Regulating Kinase 1 (Ask1)- Dependent Smooth Muscle Hypertrophy

Imad Al Ghouleh, Giovanna Frazziano, Gabor Csanyi, Eric E. Kelley, Loreto a Egana, Andres I. Rodriguez, Gyun Jee Song, Alessandro Bisello, Patrick J. Pagano

Journal:

Free Radical Biology and Medicine

Year:

2011

Language:

english

File:

PDF, 251 KB

english, 2011

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