A machine learning-oriented pseudo-field approach to accelerate runtime of molecular dynamics simulation of liquids (Unknown)
- New search for: Khan, Md. Akib
- New search for: Morshed, A. K. M. Monjur
- New search for: Paul, Titan C.
- New search for: Khan, Md. Akib
- New search for: Morshed, A. K. M. Monjur
- New search for: Paul, Titan C.
In:
Molecular Simulation
;
49
, 15
;
1442-1451
;
2023
- Article (Journal) / Electronic Resource
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Title:A machine learning-oriented pseudo-field approach to accelerate runtime of molecular dynamics simulation of liquids
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Contributors:
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Published in:Molecular Simulation ; 49, 15 ; 1442-1451
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Publisher:
- New search for: Taylor & Francis
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Publication date:2023-10-13
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Size:10 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Keywords:
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Source:
Table of contents – Volume 49, Issue 15
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1389
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First-principles calculations to investigate structural, optical and electronic properties of ZrO2, Zr0.93Si0.07O2 and Zr0.86Si0.14O2 for dye-sensitised solar cells applicationsChakma, Unesco / Ali, Md. Hazrat / Das, Durjoy Kumar / Boidya, Jui Rozline / Khan, Md. Barkat Ullah / Mahmud, Md. Sultan / Hasan, Md. Likhon / Rokanuzzaman, Md. / Taraq, Mahadi Hassan / Ahmad, Zubair et al. | 2023
- 1401
-
Effects of chain length on the structure and dynamics of polyvinyl chloride during atomistic molecular dynamics simulationsOlowookere, Feranmi V. / Al Alshaikh, Ali / Bara, Jason E. / Turner, C. Heath et al. | 2023
- 1413
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Unravelling the structural and dynamical properties of concentrated aqueous ammonium nitrate solutions: MD simulation studiesPatil, Ujwala N. / Keshri, Sonanki et al. | 2023
- 1431
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Molecular simulation of selective coordination for various silyl ester Lewis base donors with MgCl2 in Ziegler–Natta catalysisGhashghaee, Mohammad / Arabi, Hassan / Ghambarian, Mehdi et al. | 2023
- 1442
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A machine learning-oriented pseudo-field approach to accelerate runtime of molecular dynamics simulation of liquidsKhan, Md. Akib / Morshed, A. K. M. Monjur / Paul, Titan C. et al. | 2023
- 1452
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Effect of sequence pattern on conformation of DOPA-Peptide conjugate aggregates: a discontinuous molecular dynamics simulation studyChen, Amelia B. / Shao, Qing / Hall, Carol K. et al. | 2023
- 1465
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Simulation of nanocarrier-based targeted delivery of an antidepressant for major depressive disorderMehra, Vaibhav / Sarkar, Niloy / Biswal, Bibhu / Kaushik, Mahima et al. | 2023
- 1478
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A coarse-grained simulation insight of the adsorption process of mixed collector at low-rank coal/water interfaceWang, Penghui / Liu, Wenli / Zhuo, Qiming / Sun, Xiaopeng et al. | 2023