Подписаться
Anand Narayanan Krishnamoorthy
Anand Narayanan Krishnamoorthy
Researcher Shell
Подтвержден адрес электронной почты в домене fz-juelich.de - Главная страница
Название
Процитировано
Процитировано
Год
Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide
G Sivaraman, AN Krishnamoorthy, M Baur, C Holm, M Stan, G Csányi, ...
npj Computational Materials 6 (1), 104, 2020
1252020
High‐throughput experimentation and computational freeway lanes for accelerated battery electrolyte and interface development research
A Benayad, D Diddens, A Heuer, AN Krishnamoorthy, M Maiti, FL Cras, ...
Advanced Energy Materials 12 (17), 2102678, 2022
642022
DFT accurate interatomic potential for molten NaCl from machine learning
S Tovey, A Narayanan Krishnamoorthy, G Sivaraman, J Guo, C Benmore, ...
The Journal of Physical Chemistry C 124 (47), 25760-25768, 2020
562020
Local water dynamics around antifreeze protein residues in the presence of osmolytes: the importance of hydroxyl and disaccharide groups
A Narayanan Krishnamoorthy, C Holm, J Smiatek
The Journal of Physical Chemistry B 118 (40), 11613-11621, 2014
412014
Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile
CHJS Anand Narayanan Krishnamoorthy, Kristina Oldiges, Martin Winter ...
Physical Chemistry Chemical Physics, 2018
40*2018
Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions
AN Krishnamoorthy, J Zeman, C Holm, J Smiatek
Physical Chemistry Chemical Physics 18 (45), 31312-31322, 2016
362016
Experimentally driven automated machine-learned interatomic potential for a refractory oxide
G Sivaraman, L Gallington, AN Krishnamoorthy, M Stan, G Csányi, ...
Physical Review Letters 126 (15), 156002, 2021
342021
Specific ion effects for polyelectrolytes in aqueous and non-aqueous media: the importance of the ion solvation behavior
AN Krishnamoorthy, C Holm, J Smiatek
Soft Matter 14 (30), 6243-6255, 2018
292018
Influence of cosolutes on chemical equilibrium: A Kirkwood–Buff theory for ion pair association–dissociation processes in ternary electrolyte solutions
A Narayanan Krishnamoorthy, C Holm, J Smiatek
The Journal of Physical Chemistry C 122 (19), 10293-10302, 2018
252018
Data‐Driven Analysis of High‐Throughput Experiments on Liquid Battery Electrolyte Formulations: Unraveling the Impact of Composition on Conductivity
A Narayanan Krishnamoorthy, C Wölke, D Diddens, M Maiti, Y Mabrouk, ...
Chemistry‐Methods 2 (9), e202200008, 2022
122022
Machine-Learned Interatomic Potentials by Active Learning: Amorphous and Liquid Hafnium Dioxide. npj Computational Materials 2020 6: 1 2020, 6 (1), 1–8
G Sivaraman, AN Krishnamoorthy, M Baur, C Holm, M Stan, G Csányi, ...
DOI, 0
7
Electrolyte solvents for high voltage lithium ion batteries: Ion pairing mechanisms, ionic conductivity, and specific anion effects in adiponitrile
AN Krishnamoorthy, K Oldiges, A Heuer, M Winter, I Cekic-Laskovic, ...
Phys. Chem. Chem. Phys 20, 25861-25874, 2018
22018
Mechanistic understanding of the correlation between structure and dynamics of liquid carbonate electrolytes: impact of polarization
M Maiti, AN Krishnamoorthy, Y Mabrouk, N Mozhzhukhina, A Matic, ...
Physical Chemistry Chemical Physics 25 (30), 20350-20364, 2023
2023
Modeling of Complex Electrolytes: A Numerical Simulation Study
AN Krishnamoorthy
Universität Stuttgart, 2021
2021
Active Learning Driven Machine Learning Inter-Atomic Potentials Generation: A Case Study for Hafnium dioxide
G Sivaraman, A Krishnamoorthy, M Baur, C Holm, M Stan, G Csányi, ...
Bulletin of the American Physical Society 65, 2020
2020
Force Field Optimization for Ionic Liquids: FFOIL: Annual Report 2015
K Breitsprecher, NK Anand, J Smiatek, C Holm
High Performance Computing in Science and Engineering´ 15: Transactions of …, 2016
2016
INFLUENCE OF ANTIFREEZE PROTEINS ON LOCAL WATER STRUCTURE DYNAMICS IN PRESENCE OF OSMOLYTES
AN KRISHNAMOORTHY
TASK Quarterly 17 (1-2), 5-42, 2013
2013
This journal is© The Royal Society of Chemistry 2018
AN Krishnamoorthy, C Holm, J Smiatek
Molecular Dynamics Simulation of Sulfone Linked Sulfonated Dimers
AN Krishnamoorthy, J Smiatek, C Holm
Computational Trends in Solvation and Transport in Liquids, 63, 0
В данный момент система не может выполнить эту операцию. Повторите попытку позднее.
Статьи 1–19