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#crystalstructureprediction search results

karmecon's profile picture. Executive cat herder at @openmsf
Karmen Condic-Jurkic
 @karmecon
Nov 19, 2019

#Orion demonstration by Paul Hawkins and Alexandre Gross -- so many buttons to press and they work! :) #CrystalStructurePrediction #OEminiCUP

karmecon's tweet image. #Orion demonstration by Paul Hawkins and Alexandre Gross -- so many buttons to press and they work! :) #CrystalStructurePrediction #OEminiCUP
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ccdc_cambridge's profile picture. The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
CCDC Cambridge
 @ccdc_cambridge
Apr 7, 2021

Do you know why computational chemists should follow CSP developments? Find out more here hubs.ly/H0K7qhx0 #computationalchemists #computationaltechnologies #CrystalStructurePrediction

ccdc_cambridge's tweet image. Do you know why computational chemists should follow CSP developments? Find out more here hubs.ly/H0K7qhx0 #computationalchemists #computationaltechnologies #CrystalStructurePrediction
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JPhysChem's profile picture. Editors of JPC L, JPC A, JPC B, & JPC C sharing physical chemistry research articles, analysis, news, & more—Part of the @ACSPublications portfolio of journals
The Journal of Physical Chemistry
 @JPhysChem
Dec 8, 2020

Exciting new @UBScience from @zfalls and @ZurekThe displaying the innovation and effectiveness of the #XtalOpt software package now published in JPC C. @UBChemistry #crystalstructureprediction #evolutionaryalgorithms acspubs.co/W7aR50CCvsE

JPhysChem's tweet image. Exciting new @UBScience from @zfalls and @ZurekThe displaying the innovation and effectiveness of the #XtalOpt software package now published in JPC C. @UBChemistry #crystalstructureprediction #evolutionaryalgorithms acspubs.co/W7aR50CCvsE
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graeme_day's profile picture. Professor of Chemical Modelling University of Southampton, Associate Editor for @ChemicalScience, co-director @TMCScdt, FRSC, he/him
Graeme Day
 @graeme_day
Apr 22, 2021

If you attended #ACS2021 but missed my talks, they are both available in the on-demand presentations until 30 April. #compchem #crystalstructureprediction

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ccdc_cambridge's profile picture. The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
CCDC Cambridge
 @ccdc_cambridge
Dec 7, 2022

In this recently published MRS Bulletin review article, the @unisouthampton authors discuss three areas for which #MachineLearning is thought to enhance the outcomes of #CrystalStructurePrediction. Read in full here 🔗hubs.ly/Q01tFbBk0

ccdc_cambridge's tweet image. In this recently published MRS Bulletin review article, the @unisouthampton authors discuss three areas for which #MachineLearning is thought to enhance the outcomes of #CrystalStructurePrediction. Read in full here 🔗hubs.ly/Q01tFbBk0
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XtalPi's profile picture. Revolutionizing Molecular Research with AI & Robotics R&D Platform
XtalPi
 @XtalPi
Apr 29, 2021

Next week, Luca Russo will demonstrate how crystallography is used in concert with #solidstate modeling, like #crystalstructureprediction, to benefit solid form selection and risk-management during #drugdevelopment @GSK. Register at bit.ly/2NOfXMO #crystalstructure

XtalPi's tweet image. Next week, Luca Russo will demonstrate how crystallography is used in concert with #solidstate modeling, like #crystalstructureprediction, to benefit solid form selection and risk-management during #drugdevelopment @GSK. Register at bit.ly/2NOfXMO #crystalstructure
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JasonColeCCDC's profile picture. A crystallographer, chemist and software developer. Works at @ccdc_cambridge. Views my own. Now no longer monitoring this account.
Jason Cole @theduckmachine.bsky.social
 @JasonColeCCDC
Oct 8, 2020

Controversial view? (i.e. Protein folding is an easier problem than CSP?!) #CrystalStructurePrediction

ccdc_cambridge's profile picture. The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
CCDC Cambridge
 @ccdc_cambridge
Oct 7, 2020

#Google folding proteins, #IBM generating new pharmaceutical chemistries... is Crystal Structure Prediction next for big tech companies? And why is this challenge different to others? Read our latest blog here: hubs.ly/H0xy1nx0 #CSPBlindTest

ccdc_cambridge's tweet image. #Google folding proteins, #IBM generating new pharmaceutical chemistries... is Crystal Structure Prediction next for big tech companies? And why is this challenge different to others? Read our latest blog here: hubs.ly/H0xy1nx0 #CSPBlindTest
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Bend_ai_LLC's profile picture. Interesting startup, research, and technology updates. 🚀 https://t.co/VSwvtGDNCi is an AI-centered marketing and technology firm.
Bend.AI
@Bend_ai_LLC
Jun 14, 2023

Prof. Qiang Zhu from UNLV is guest editing a special issue on the application of machine learning to crystal structure prediction. More details can be found at: jmijournal.com/journal/specia… 🧪💎🔬 #MachineLearning #CrystalStructurePrediction via Bend.ai

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ActaCrystB's profile picture. The @IUCr journal Acta Crystallographica Section B: Structural Science, Crystal Engineering, and Materials.
Acta Cryst B
 @ActaCrystB
Nov 10, 2022

Yongliang Guo et al.: Structural transitions and mechanical properties of Zr2C under ambient and high-pressure conditions #PhaseTransition #CrystalStructurePrediction ... #IUCr scripts.iucr.org/cgi-bin/paper?…

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ActaCrystB's profile picture. The @IUCr journal Acta Crystallographica Section B: Structural Science, Crystal Engineering, and Materials.
Acta Cryst B
 @ActaCrystB
Oct 16, 2024

G. J. O. Beran et al.: Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction #CrystalStructurePrediction #BlindTest #ConformationalPolymorphs ... #IUCr journals.iucr.org/paper?S2052520…

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ActaCrystB's profile picture. The @IUCr journal Acta Crystallographica Section B: Structural Science, Crystal Engineering, and Materials.
Acta Cryst B
 @ActaCrystB
Jul 17, 2023

Fredrickson and Fredrickson: As predicted and more: modulated channel occupation in YZn5+x #AperiodicCrystals #CrystalStructurePrediction #IntermetallicPhases @UWMadison @UWMadison... #IUCr scripts.iucr.org/cgi-bin/paper?…

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OAE_JMaterInf's profile picture. Journal of Materials Informatics welcomes high quality manuscripts that address all aspects of fields of materials informatics
Journal of Materials Informatics
 @OAE_JMaterInf
Nov 29

2024 Hot Paper Sharing👏🥳 Topic: Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm From team of University of South Carolina🧐 oaepublish.com/articles/jmi.2… #NeuralNetwork, #GeneticAlgorithm #CrystalStructurePrediction

OAE_JMaterInf's tweet image. 2024 Hot Paper Sharing👏🥳 Topic: Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm From team of University of South Carolina🧐 oaepublish.com/articles/jmi.2… #NeuralNetwork, #GeneticAlgorithm #CrystalStructurePrediction
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ActaCrystB's profile picture. The @IUCr journal Acta Crystallographica Section B: Structural Science, Crystal Engineering, and Materials.
Acta Cryst B
 @ActaCrystB
Oct 16, 2024

G. J. O. Beran et al.: Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction #CrystalStructurePrediction #BlindTest #ConformationalPolymorphs ... #IUCr journals.iucr.org/paper?S2052520…

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ActaCrystB's profile picture. The @IUCr journal Acta Crystallographica Section B: Structural Science, Crystal Engineering, and Materials.
Acta Cryst B
 @ActaCrystB
Jul 17, 2023

Fredrickson and Fredrickson: As predicted and more: modulated channel occupation in YZn5+x #AperiodicCrystals #CrystalStructurePrediction #IntermetallicPhases @UWMadison @UWMadison... #IUCr scripts.iucr.org/cgi-bin/paper?…

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Bend_ai_LLC's profile picture. Interesting startup, research, and technology updates. 🚀 https://t.co/VSwvtGDNCi is an AI-centered marketing and technology firm.
Bend.AI
@Bend_ai_LLC
Jun 14, 2023

Prof. Qiang Zhu from UNLV is guest editing a special issue on the application of machine learning to crystal structure prediction. More details can be found at: jmijournal.com/journal/specia… 🧪💎🔬 #MachineLearning #CrystalStructurePrediction via Bend.ai

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ccdc_cambridge's profile picture. The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
CCDC Cambridge
 @ccdc_cambridge
Dec 7, 2022

In this recently published MRS Bulletin review article, the @unisouthampton authors discuss three areas for which #MachineLearning is thought to enhance the outcomes of #CrystalStructurePrediction. Read in full here 🔗hubs.ly/Q01tFbBk0

ccdc_cambridge's tweet image. In this recently published MRS Bulletin review article, the @unisouthampton authors discuss three areas for which #MachineLearning is thought to enhance the outcomes of #CrystalStructurePrediction. Read in full here 🔗hubs.ly/Q01tFbBk0
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ActaCrystB's profile picture. The @IUCr journal Acta Crystallographica Section B: Structural Science, Crystal Engineering, and Materials.
Acta Cryst B
 @ActaCrystB
Nov 10, 2022

Yongliang Guo et al.: Structural transitions and mechanical properties of Zr2C under ambient and high-pressure conditions #PhaseTransition #CrystalStructurePrediction ... #IUCr scripts.iucr.org/cgi-bin/paper?…

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XtalPi's profile picture. Revolutionizing Molecular Research with AI & Robotics R&D Platform
XtalPi
 @XtalPi
Apr 29, 2021

Next week, Luca Russo will demonstrate how crystallography is used in concert with #solidstate modeling, like #crystalstructureprediction, to benefit solid form selection and risk-management during #drugdevelopment @GSK. Register at bit.ly/2NOfXMO #crystalstructure

XtalPi's tweet image. Next week, Luca Russo will demonstrate how crystallography is used in concert with #solidstate modeling, like #crystalstructureprediction, to benefit solid form selection and risk-management during #drugdevelopment @GSK. Register at bit.ly/2NOfXMO #crystalstructure
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graeme_day's profile picture. Professor of Chemical Modelling University of Southampton, Associate Editor for @ChemicalScience, co-director @TMCScdt, FRSC, he/him
Graeme Day
 @graeme_day
Apr 22, 2021

If you attended #ACS2021 but missed my talks, they are both available in the on-demand presentations until 30 April. #compchem #crystalstructureprediction

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ccdc_cambridge's profile picture. The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
CCDC Cambridge
 @ccdc_cambridge
Apr 7, 2021

Do you know why computational chemists should follow CSP developments? Find out more here hubs.ly/H0K7qhx0 #computationalchemists #computationaltechnologies #CrystalStructurePrediction

ccdc_cambridge's tweet image. Do you know why computational chemists should follow CSP developments? Find out more here hubs.ly/H0K7qhx0 #computationalchemists #computationaltechnologies #CrystalStructurePrediction
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JPhysChem's profile picture. Editors of JPC L, JPC A, JPC B, & JPC C sharing physical chemistry research articles, analysis, news, & more—Part of the @ACSPublications portfolio of journals
The Journal of Physical Chemistry
 @JPhysChem
Dec 8, 2020

Exciting new @UBScience from @zfalls and @ZurekThe displaying the innovation and effectiveness of the #XtalOpt software package now published in JPC C. @UBChemistry #crystalstructureprediction #evolutionaryalgorithms acspubs.co/W7aR50CCvsE

JPhysChem's tweet image. Exciting new @UBScience from @zfalls and @ZurekThe displaying the innovation and effectiveness of the #XtalOpt software package now published in JPC C. @UBChemistry #crystalstructureprediction #evolutionaryalgorithms acspubs.co/W7aR50CCvsE
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JasonColeCCDC's profile picture. A crystallographer, chemist and software developer. Works at @ccdc_cambridge. Views my own. Now no longer monitoring this account.
Jason Cole @theduckmachine.bsky.social
 @JasonColeCCDC
Oct 8, 2020

Controversial view? (i.e. Protein folding is an easier problem than CSP?!) #CrystalStructurePrediction

ccdc_cambridge's profile picture. The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
CCDC Cambridge
 @ccdc_cambridge
Oct 7, 2020

#Google folding proteins, #IBM generating new pharmaceutical chemistries... is Crystal Structure Prediction next for big tech companies? And why is this challenge different to others? Read our latest blog here: hubs.ly/H0xy1nx0 #CSPBlindTest

ccdc_cambridge's tweet image. #Google folding proteins, #IBM generating new pharmaceutical chemistries... is Crystal Structure Prediction next for big tech companies? And why is this challenge different to others? Read our latest blog here: hubs.ly/H0xy1nx0 #CSPBlindTest
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