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2017: The Year Ahead - WIRED's 2017 Predictions: VR Is Coming to an Arcade Near You

It's unlikely that you'll buy a VR rig in 2017, instead you'll go 'VRing' by buying a ticket to a virtual gaming theme park or experience.




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Pre-Crime Policing: How Cops Are Using Algorithms to Predict Crimes

The LAPD is one of a growing number of police departments using algorithms to try to predict crimes before they happen. Proponents of these tools say they provide cops with added tools to keep their cities safe -- but critics argue it's just another form of profiling.




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Hurricane Hunter Explains How They Track and Predict Hurricanes

NOAA meteorologist researcher Jason Dunion talks with WIRED reporter Matt Simon about what it's like to fly a plane into a hurricane, and how scientists track and predict storms.




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Modeling, evaluating, and predicting IT human resources performance [electronic resource] / Konstantina Richter, University of Magdeburg, Germany, Reiner R. Dumke, University of Magdeburg, Germany

Richter, Konstantina, author




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[ASAP] <sup>13</sup>C NMR Relaxation Analysis of Protein GB3 for the Assessment of Side Chain Dynamics Predictions by Current AMBER and CHARMM Force Fields

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00050




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[ASAP] Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00229




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[ASAP] Accurate and Efficient Prediction of NMR Parameters of Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01298




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[ASAP] Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00070




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[ASAP] Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in Amber

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00258




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The high-accuracy prediction of carbon content in semi-coke by laser-induced breakdown spectroscopy

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/C9JA00443B, Paper
Xiangjun Xu, Angze Li, Xianshuang Wang, Chunjie Ding, Suling Qiu, Yage He, Tianqi Lu, Feng He, Bingsuo Zou, Ruibin Liu
LIBS technology is used in the realization process of semi-coke detection.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Four Bold Social Media Predictions For 2020

Predicting the future of social media is always fun.

Emerging platforms, secured patents, new tactics and demographic shifts are just a few things to consider when making a prediction.

So, what is next with social media as we look ahead to 2020? Here are four big predictions on the future of social media in 2020.

complete article




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16 predictions for social networks in 2020

And just like that, we have reached the final issue of the year — and also, somehow, the decade. As is tradition around here, let’s close out the year with some predictions from you about where platforms and democracy are headed in 2020 and beyond.

Thanks to everyone who contributed. Here are your thoughts, along with some of mine. This year, I’m ordering these in roughly how likely I think they are. So, the most likely things to happen at the top, and we move further into crazy town as you scroll down. Generally speaking, I feel more comfortable predicting product moves than policy shifts.

16 predictions for social networks in 2020




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The Social Network Predicted The 2010s

David Finchers The Social Network seems quite prophetic considering how the 2010s turned out. With its focus on the digitization of social interaction as well as the need for social engagement and the advantages of sociopathy in powerful people combined with the power of public shaming, The Social Network explores the contradictions that animated the culture of this decade.

The Social Network Predicted The 2010s




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49ers schedule 2020: Predicting why they can, can't match 2019 success

The 49ers are going to be good next season. But how good?




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Testing the predictive power of theory for PdxIr(100−x) alloy nanoparticles for the oxygen reduction reaction

J. Mater. Chem. A, 2020, 8,8421-8429
DOI: 10.1039/C9TA13711D, Paper
Hongyu Guo, Jamie A. Trindell, Hao Li, Desiree Fernandez, Simon M. Humphrey, Graeme Henkelman, Richard M. Crooks
PdxIr(100−x) alloys synthesized via a microwave-assisted polyol method serve as an ideal experimental system to improve theoretical insight of the material properties towards the ORR.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Curves for the mathematically curious: an anthology of the unpredictable, historical, beautiful, and romantic / Julian Havil

Dewey Library - QA483.H39 2019




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Chiayi Swingers vs ICCT Smashers, Dream11 Prediction: Best picks for CHI vs...

Chiayi Swingers vs ICCT Smashers, Dream11 Prediction: Best picks for CHI vs...






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Prediction of high carrier mobility for a novel two-dimensional semiconductor of BC6N: first principles calculations

J. Mater. Chem. C, 2020, 8,5882-5893
DOI: 10.1039/D0TC00549E, Paper
Li-Bin Shi, Mei Yang, Shuo Cao, Qi You, Ya-Jing Zhang, Meng Qi, Kai-Cheng Zhang, Ping Qian
First principles calculations are performed to predict phonon-limited carrier mobility for a novel graphene-like semiconductor with BC6N stoichiometry.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Predictive intelligence in medicine: second International Workshop, PRIME 2019, held in Conjunction with MICCAI 2019, Shenzhen, China, October 13, 2019, Proceedings / Islem Rekik, Ehsan Adeli, Sang Hyun Park (eds.)

Online Resource




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Mechanical reliability: prediction and management under extreme load conditions / Oleksandr Grynchenko, Oleksiy Alfyorov

Online Resource




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Proficiency predictors in sequential bilinguals: the proficiency puzzle / Lynette Austin, Arturo E. Hernandez, John W. Schwieter

Hayden Library - P118.2.A87 2019




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Prediction of a two-dimensional high-TC f-electron ferromagnetic semiconductor

Mater. Horiz., 2020, Advance Article
DOI: 10.1039/D0MH00183J, Communication
Bing Wang, Xiwen Zhang, Yehui Zhang, Shijun Yuan, Yilv Guo, Shuai Dong, Jinlan Wang
Two-dimensional (2D) ferromagnetic semiconductors (FMSs) exhibit novel spin-dependent electronic and optical properties, opening up exciting opportunities for nanoscale spintronic devices.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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[ASAP] Chlorines Are Not Evenly Substituted in Chlorinated Paraffins: A Predicted NMR Pattern Matching Framework for Isomeric Discrimination in Complex Contaminant Mixtures

Environmental Science & Technology Letters
DOI: 10.1021/acs.estlett.0c00244




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2014 ACM/IEEE International Workshop on System Level Interconnect Prediction (SLIP) [electronic journal].

IEEE / Institute of Electrical and Electronics Engineers Incorporated




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[ASAP] <italic toggle="yes">Ab Initio</italic> Prediction of Catalytic Elemental Metals for Black Phosphorus Synthesis from Investigations of Interactions among the Elemental Metals, Iodine, and Phosphorus Clusters

The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.0c03019




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Big data in predictive toxicology / editors: Daniel Neagu, Andrea-Nicole Richarz

Online Resource




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Hydrophobic tail length in spin crossover active iron(II) complexes predictably tunes T½ in solution and enables surface immobilisation

Inorg. Chem. Front., 2020, Advance Article
DOI: 10.1039/C9QI01478K, Research Article
Sriram Sundaresan, Jonathan A. Kitchen, Sally Brooker
Linear correlation of the hydrophobic alkyl tail length R employed in [FeII(LH-OR)(NCBH3)2] with the spin crossover switching temperature is a very convenient method of predictably tuning the iron(II) spin state.
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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Mechanism of oxygen vacancy assisted water-splitting of LaMnO3: Inorganic perovskite prediction for fast solar thermochemical H2 production

Inorg. Chem. Front., 2020, Accepted Manuscript
DOI: 10.1039/D0QI00338G, Research Article
Mingkai Fu, Huajun Xu, Xin Li
Highly reducible and thermally-stable lanthanum-manganese perovskites represent a promising class of materials for solar thermochemical hydrogen production. However, such materials suffer from low hydrogen production rate, resulting in incomplete re-oxidation...
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] Measurements and Correlation of Isobaric Vapor–Liquid Equilibrium Data for Binary Mixtures of Furan, Oxolane, and Furan-2-Carbaldehyde and Application of the Binary Model Parameters for Further Prediction of the Ternary System

Journal of Chemical & Engineering Data
DOI: 10.1021/acs.jced.9b01210




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Numerical Simulation, An Art of Prediction 1: Theory


 
Numerical simulation is a technique of major importance in various technical and scientific fields. Used to understand diverse physical phenomena or to design everyday objects, it plays a major role in innovation in the industrial sector. Whilst engineering curricula now include training courses dedicated to it, numerical simulation is still not well-known in some economic sectors, and even less so among the general public. Simulation involves the

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[ASAP] Combining Docking Pose Rank and Structure with Deep Learning Improves Protein–Ligand Binding Mode Prediction over a Baseline Docking Approach

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b00927




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[ASAP] Will Cryo-Electron Microscopy Shift the Current Paradigm in Protein Structure Prediction?

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00177




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[ASAP] Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein–Ligand Binding Affinities

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00024




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[ASAP] Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b00975




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[ASAP] Prototype Selection Method Based on the Rivality and Reliability Indexes for the Improvement of the Classification Models and External Predictions

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00176




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[ASAP] Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00065




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[ASAP] Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00161




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[ASAP] Matched Molecular Series Analysis for ADME Property Prediction

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00269




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How Earth’s rotation could predict giant quakes, gene therapy’s new hope, and how carbon monoxide helps deep-diving seals

This week we hear stories on how the sloshing of Earth’s core may spike major earthquakes, carbon monoxide’s role in keeping deep diving elephant seals oxygenated, and a festival celebrating heavily researched yet completely nonsensical theories with Online News Editor David Grimm. Sarah Crespi interviews staff writer Jocelyn Kaiser about the status of gene therapy, including a newly tested gene-delivering virus that may give scientists a new way to treat devastating spinal and brain diseases. Listen to previous podcasts.    [Image: Robert Schwemmer, CINMS, NOAA; Music: Jeffrey Cook]  




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Unearthed letters reveal changes in Fields Medal awards, and predicting crime with computers is no easy feat

Freelance science writer Michael Price talks with Sarah Crespi about recently revealed deliberations for a coveted mathematics prize: the Fields Medal. Unearthed letters suggest early award committees favored promise and youth over star power. Sarah also interviews Julia Dressel about her Science Advances paper on predicting recidivism—the likelihood that a criminal defendant will commit another crime. It turns out computers aren’t better than people at these types of predictions, in fact—both are correct only about 65% of the time.   Jen Golbeck interviews Paul Shapiro about his book, Clean Meat: How Growing Meat Without Animals Will Revolutionize Dinner and the World, in our monthly books segment.   Listen to previous podcasts. [Image: Greg Chiasson/Flickr; Music: Jeffrey Cook]




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Science books for summer, and a blood test for predicting preterm birth

What book are you taking to the beach or the field this summer? Science’s books editor Valerie Thompson and host Sarah Crespi discuss a selection of science books that will have you catching comets and swimming with the fishes. Sarah also talks with Mira Moufarrej of Stanford University in Palo Alto, California, about her team’s work on a new blood test that analyzes RNA from maternal blood to determine the gestational age of a fetus. This new approach may also help predict the risk of preterm birth. This week’s episode was edited by Podigy. Listen to previous podcasts. [Image: William Warby/Flickr; Music: Jeffrey Cook]




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How far out we can predict the weather, and an ocean robot that monitors food webs

The app on your phone tells you the weather for the next 10 days—that’s the furthest forecasters have ever been able to predict. In fact, every decade for the past hundred years, a day has been added to the total forecast length. But we may be approaching a limit—thanks to chaos inherent in the atmosphere. Staff writer Paul Voosen joins host Sarah Crespi to talk about how researchers have determined that we will only be adding about 5 more days to our weather prediction apps. Also this week, host Meagan Cantwell interviews Trygve Fossum from the Norwegian University of Science and Technology in Trondheim about his article in Science Robotics on an underwater autonomous vehicle designed to sample phytoplankton off the coast of Norway. The device will help researchers form a better picture of the base of many food webs and with continued monitoring, researchers hope to better understand key processes in the ocean such as nutrient, carbon, and energy cycling. This week’s episode was edited by Podigy. Download the transcript (PDF) Listen to previous podcasts About the Science Podcast [Image: Joshua Stevens/NASA Earth Observatory; Music: Jeffrey Cook]




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Constitutive modelling and failure prediction for silicone adhesives in façade design Michael Drass

Online Resource




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[ASAP] Predicting Deprotonation Sites Using Alchemical Derivatives

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.9b09472




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[ASAP] Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01280




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[ASAP] Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01606




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Photo-tunable hydrogel mechanical heterogeneity informed by predictive transport kinetics model

Soft Matter, 2020, 16,4131-4141
DOI: 10.1039/D0SM00052C, Paper
Callie I. Higgins, Jason P. Killgore, Frank W. DelRio, Stephanie J. Bryant, Robert R. McLeod
Photo-tunable hydrogel mechanical heterogeneity using a single resin is presented here, informed by a predictive transport kinetics and swelling model.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Systematic approach for wettability prediction using molecular dynamics simulations

Soft Matter, 2020, 16,4299-4310
DOI: 10.1039/D0SM00197J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ahmed Jarray, Herman Wijshoff, Jurriaan A. Luiken, Wouter K. den Otter
An efficient approach for fast screening of liquids in terms of their wetting properties.
The content of this RSS Feed (c) The Royal Society of Chemistry