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Who will win Bigg Boss 12? PREDICT!

Take your pick from Dipika, Deepak, Romil, Karanvir and S Sreesanth!




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Bigg Boss 16: Will Soundarya Get Evicted? PREDICT!

After Gautam Vig, will his rumoured girlfriend Soundarya Sharma exit the Bigg Boss house?




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Bigg Boss: Who Will Get Evicted This Week? PREDICT!

Christmas may be around the corner but will that stop an elimination from the Bigg Boss 16 house this weekend?




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Bigg Boss 16: Will Vikas Get Eliminated? PREDICT!

Will he be the latest contestant to leave the show?




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Bigg Boss 16: Predict The WINNER!

After locking horns on Bigg Boss 16 for over four months, Priyanka Chahar Choudhary, Archana Gautam, Shalin Bhanot, Shiv Thakare and MC Stan have made it to the grand finale.




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Who Will Win Bigg Boss OTT 3? PREDICT!

As the show inches towards its grand finale on August 2, finalists Ranvir Shorey, Sana Makbul, Naezy, Kritika Malik, and Sai Ketan Rao have their eyes set on the prize.








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Oscars 2017: PREDICT the Best Supporting Actor!

Raja Sen analyses the contenders for the Best Supporting Actor category at the Oscars.




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Make Your Oscar Predictions!

Here's a look at the expert predictions. Do send in your predictions too!




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The Oscars Are Not Always Predictable

In the biggest surprise of the night, Emma Stone grabbed the Best Actress trophy for the complex portrayal of a Frankenstein-like character Bella, in Yargos Lanthimos' electrifying and most original film Poor Things. Aseem Chhabra recaps the 96th Annual Academy Awards.




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Machine-learning-accelerated structure prediction of PtSnO nanoclusters under working conditions

Phys. Chem. Chem. Phys., 2024, 26,27624-27632
DOI: 10.1039/D4CP03769C, Paper
Fanke Zeng, Wanglai Cen
Credible property calculations based on the structure prediction of multi-component catalyst clusters under working conditions via a machine-learning-accelerated genetic algorithm and ab initio thermodynamics approach.
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Strategy for predicting catalytic activity of catalysts with hierarchical nanostructures

Phys. Chem. Chem. Phys., 2024, 26,27371-27381
DOI: 10.1039/D4CP03102D, Paper
Zidi Zhu, Daoming Huan, Jingchao Yuan, Dan Zhang, Aijun Li, Jiujun Zhang
This study constructs a multiphysics model that successfully replicates experimental results, introducing an improved Thiele modulus to enhance the prediction of catalytic activity in hierarchical nanostructured SOFC electrodes.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Prediction of high-temperature superconductors at ambient pressure with diamond-like structures: B2CX (X = N, P)

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03755C, Paper
Yi Wan, Ying-Jie Chen, Shu-Xiang Qiao, Kai-Yue Jiang, Guo-Hua Liu, Na Jiao, Ping Zhang, Hong-Yan Lu
We predict B2CX (X = N, P) are standard phonon-mediated superconductors with Tc = 44.3–46.1 K, higher than most diamond-like superconductors. Coupling between metallic σ electrons and softened E phonons contributes greatly to their superconductivity.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Annealing approach to form a nanotube from graphdiyne ribbon: A theoretical prediction

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03573A, Paper
Bo Song, Kun Cai, Jiao Shi, Qinghua Qin
A precisely controllable heat treatment process is critical for nanofabrication. We developed a two-step method to fabricate a graphdiyne nanotube (GNT) through heat treatment in an argon environment. Initially, we...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Supramolecular self-sorting predicted by a simple harmonic oscillator model

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05336B, Communication
Open Access
Adriana Sacristán-Martín, Nerea Álvarez-Llorente, Eric Masson, Alberto Diez-Varga, Héctor Barbero
The self-sorting process of homobimetallic Pt(II) terpyridyl acetylide dimers secured by a pair of Cucurbit[8]uril macrocycles with recognition motif mismatch can be quantified using a model comprising two coupled harmonic oscillators.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Polarizable AMOEBA force field predicts thin and dense hydration layer around monosaccharides.

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC04415K, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Luke A Newman, Mackenzie G Patton, Breyanna A Rodriguez, Ethan W Sumner, Valerie Vaissier Welborn
Polarizable force fields crucially enhance the modeling of macromolecules in polar media. Here, we present new parameters to model six common monosaccharides with the polarizable AMOEBA force field. These parameters...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Predictions for 2023: AI, VR boom in hospitality, wellness and gaming, and Balenciaga in India

This is the time of year when that we draw up the Best Of 2022 lists, and trend forecasts for 2023. And But how do you predict the unpredictable? We start with gains from the past.



  • Life & Style

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Self-supervised graph neural networks for polymer property prediction

Mol. Syst. Des. Eng., 2024, 9,1130-1143
DOI: 10.1039/D4ME00088A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Qinghe Gao, Tammo Dukker, Artur M. Schweidtmann, Jana M. Weber
Self-supervised learning for polymer property prediction in scarce data domains.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Theoretical Prediction of Negative Thermal Expansion in Cubic VF3

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00577E, Paper
Dingfeng Yang, Dingfeng Yang, Yurou Tang, Junzhu Yang, Hongzheng Pu, Mingyu Pi, Yuanyuan Li
Designing and discovering negative thermal expansion materials is import in precisely controlled thermal expansion devices. In this work, the NTE of cubic metal fluoride VF3 with ReO3-Type was predicted by...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions

New J. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4NJ00563E, Paper
Sravanthi Baddepuri, G. Rama Krishna, Jyothi Kumari, Sriram Dharmarajan, Srinivas Basavoju
The aim of the study is to develop the synthesis of a novel series of potent anti-tubercular (anti-TB) activity of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives via an efficient green approach achieved by...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Correction: Nano-pelargonidin modulates p53/PARP/HSP 90/XRCC1 signaling axis to combat cypermethrin-induced genotoxicity and metabolic dysfunction in fish: a molecular docking predicted in vivo approach

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN90017K, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Priyanka Sow, Sudatta Dey, Rishita Dey, Asmita Samadder, Sisir Nandi, Debojyoti Tarafdar, Anisur Rahman Khuda-Bukhsh
To cite this article before page numbers are assigned, use the DOI form of citation above.
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First-principles prediction of a direct Z-scheme WSe2/HfS2 van der Waals heterostructure for overall photocatalytic water decomposition

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00267A, Paper
Yan Zhang, Zhi-Bo Qiang, Jian-Xin Ding, Kang-Xin Xie, Li Duan, Lei Ni
The direct Z-scheme heterostructures photocatalyst has been validated as an efficacious approach for addressing the energy source issues and environmental challenges. This manuscript employs the first-principles to scrutinize singular-layer WSe2...
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Tech Support - Experts Predict the Future of Technology, AI & Humanity

WIRED asked experts from all corners of society and academia to answer questions about the future of technology, artificial intelligence, and humanity itself.




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AI Predictive Maintenance: How to ensure peak asset performance | WIRED Brand Lab

Produced by Wired Brand Lab with IBM | In industries reliant on heavy assets, unexpected challenges like machinery failures are common. How can businesses predict and prevent these issues? Discover how IBM Maximo on AWS empowers companies to shift from reactive to predictive maintenance, harnessing AI-driven alerts to help detect anomalies and swiftly address challenges.




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Predictive Problem-Solving: How Automation is Changing the Game | WIRED Brand Lab

Produced by Wired Brand Lab with IBM | Developers monitoring robust cloud systems face numerous challenges with traditional software, reacting to issues as they occur. Even finding where to start can take longer than actually fixing the problem. But what if AI could help recognize and predict potential problems before they ever impact IT systems? Discover how IBM Instana on AWS with AI-driven analytics proactively detects and helps you resolve issues while providing insight to contextualize contributing factors.




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Prediction methods for Phonon Transport Properties of Inorganic Crystals: from Traditional Approaches to Artificial Intelligence

Nanoscale Horiz., 2024, Accepted Manuscript
DOI: 10.1039/D4NH00487F, Review Article
yi Wei, Zhixiang Liu, Guangzhao Qin
In inorganic crystals, phonons are the elementary excitations describing the collective atomic motions. The study of phonons plays an important role in terms of understanding thermal transport behavior and acoustic...
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Assessing the performance of handheld LIBS for predicting soil organic carbon and texture in European soils

J. Anal. At. Spectrom., 2024, 39,2903-2916
DOI: 10.1039/D4JA00292J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Alex Wangeci, Maria Knadel, Olga De Pascale, Mogens H. Greve, Giorgio S. Senesi
Evaluating the performance of handheld LIBS for determination of soil properties across a continental scale.
The content of this RSS Feed (c) The Royal Society of Chemistry




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A Gaussian Spot Overlap Ablation Model for Prediction of Aluminium Alloy Spectral Peak Intensity in High Pulse Repetition Frequency LIBS

J. Anal. At. Spectrom., 2024, Accepted Manuscript
DOI: 10.1039/D4JA00298A, Paper
Dongming Qu, Bohao Su, Zhongshu Bai, Biye Liu, Xueying Jin, Guanyu Chen, Yuting Fu, Tingwen Gu, Guang Yang, Qingkai Li
The use of microjoule high pulse repetition frequency (PRF) lasers as excitation sources is an important direction in the miniaturisation of laser-induced breakdown spectroscopy (LIBS) instruments. However, high PRF LIBS...
The content of this RSS Feed (c) The Royal Society of Chemistry




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CrysGraphFormer: an equivariant graph transformer for prediction of lattice thermal conductivity with interpretability

J. Mater. Chem. A, 2024, 12,30707-30721
DOI: 10.1039/D4TA04495A, Paper
Zhengyu Sun, Weiwei Sun, Shaohan Li, Zening Yang, Mutian Zhang, Yang Yang, Huayun Geng, Jin Yu
We propose an innovative GNN model, CrysGraphFormer, which accurately predicts lattice thermal conductivity and enhances insights for material discovery.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Computational prediction of solvation structures in calcium battery electrolytes

J. Mater. Chem. A, 2024, Advance Article
DOI: 10.1039/D4TA06675H, Paper
Heonjae Jeong, Haimeng Wang, Lei Cheng
This study demonstrates comprehensive approaches for predicting solvation structures in Ca-ion battery electrolytes by integrating ab initio calculations and machine learning force fields.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Nifty Prediction Today – October 30, 2024: Can be range bound. Stay out of the market

Nifty 50 October Futures contract can oscillate in a range of 24,300-24,600




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Bank Nifty prediction today – Oct 30, 2024: Intraday trend uncertain at the moment

The key levels for Bank Nifty futures are 51,200 and 52,700




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Nifty Prediction Today – November 04, 2024: Bearish. Go short now and on a rise

Nifty 50 November Futures contract can fall to 23,950 and 23,800




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Bank Nifty prediction today – November 4, 2024: Bears gaining momentum

Bank Nifty futures might see a fall to 50,800




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Nifty Prediction today – Nov 5, 2024: Downtrend might resume, go short

Nifty futures can decline to 23,500 in the near term




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Bank Nifty Prediction today – Nov 5, 2024: Might fall off a barrier, initiate short

Bank Nifty November futures areis likely to see a decline




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Nifty Prediction today – Nov 6, 2024: Momentum favours bulls, go long

Nifty futures can rise to 24,750




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Bank Nifty Prediction today – Nov 6, 2024: Intraday trend uncertain, stay out

Bank Nifty futures is trading between key levels at 52,000 and 52,800




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Bank Nifty Prediction today – Nov 7, 2024: Hovering around a support, short if this base is broken

Bank Nifty futures can fall to 51,300 if it slips below 52,000 




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Nifty Prediction today – Nov 7, 2024: Bears gain momentum; go short if the support is breached

Nifty futures has a support at 24,250; a breach of this can lead to a fall to 24,000 




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Nifty prediction today – Nov 8, 2024: Intraday outlook is unclear. Stay out of the market

Nifty 50 November futures contract can oscillate in a range of 24,150-24,400




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Bank Nifty prediction today – Nov 8, 2024: Trading within a range

Bank Nifty futures is currently stuck between 52,000 and 52,500




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Nifty Prediction Today – November 11, 2024: Resistance ahead. Go short on a rise

Nifty 50 November Futures contract can fall to 23,900