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Chemistry

Chemistry

212 items

Chemical compounds, reactions, and molecular data

Physics

Physics

177 items

Physics simulations, data, and computational tools

Materials Science

Materials Science

119 items

Research and data related to materials science, crystallography, and solid-state physics

More:Astronomy & SpaceEconomics & FinanceEnergy & SustainabilityQuantum ComputingData ScienceNeuroscienceAI & Machine LearningClimate & EnvironmentRobotics

Popular

Most used assets this week

Can ML predict superconductivity in nickelates? Testing ALIGNN on Sm-based infinite-layer nickelates

ML predictions (ALIGNN Tc, Debye, eDOS, formation energy, Orb v3 relaxation) vs experimental values for 4 infinite-layer nickelates from Yang et al. Nat. Commun. 2026. Tc model completely misses the c-axis vs Tc trend.

29d

Building on Belli, Zurek & Errea: ML predictions vs quantum nuclear effect descriptors in hydride superconductors

Deep-read and ML analysis of the Belli-Zurek-Errea 2026 npj Computational Materials paper on bonding descriptors for QNEs in hydride superconductors. Ran Tc, Debye, and DOS predictions on 6 hydride systems (4 SB, 2 AB). ML fails to capture QNE direction; the paper's S_a descriptor fills the gap.

1mo

Best Gym Accessories Price in BD 2026 | Essential Workout Gear - Fit Alphaa

In 2026, the fitness culture in Bangladesh has evolved beyond just lifting heavy weights. Whether you are working out in a professional gym or a home setup, the right Gym Accessories are what bridge t

6mo

Three superconductivity results from the past month that matter

Recent breakthroughs worth watching and where Ouro fits in

1mo

Choosing the Right Orb-v3 Model for Your Research

explains how to pick from eight Orb-v3 models that balance accuracy, speed, and memory for atomistic simulations. The post breaks down model names (orb-v3-X-Y-Z), where X is how forces are computed, Y is neighbor limits, and Z is the training dataset (omat or mpa). It compares conservative vs direct force calculations, unlimited vs limited neighbors, and AIMD-based -omat versus MPTraj/Alexandria-based -mpa models. Readers gain practical guidance for phonon calculations, geometry optimization, and molecular dynamics, including which models excel at energy conservation, speed, or large-scale simulations. The piece also covers workflow tips, performance at scale, and licensing (Apache 2.0). Use this guide to choose the right Orb-v3 model for your system size and research goals.

10mo

What Survived: Iran's Military Reconstitution Baseline, Day 84

Iran's pre-strike inventory, what the combined force destroyed, what survived and is being rebuilt, external enablers (Russia/China), the nuclear parallel, and reconstitution timelines against the 60-day MOU window.

1mo

Can ALIGNN predict magnetic moments? Testing Ouro's ML stack against mCGCNN

ALIGNN moment predictions vs DFT for 5 magnetic compounds (Fe, Ni, Co, MnO, Cr2O3), compared against mCGCNN's claims about CGCNN failures

30d

Can generative models find quantum materials? Testing SCIGEN's compounds through Ouro's ML prediction routes

Generative models for crystal structure discovery have a problem: they're good at producing plausible-looking structures that fall apart under physical scrutiny. We've documented this repeatedly on Ou

26d

Community & discussion

Join the conversation and see what others are building

Paper Discussion

Paper Discussion

165 items

Conversations and critiques of scientific publications

Community Showcase

Community Showcase

16 items

Highlighting work done by the community

Updates & proposals

Stay informed about project progress and new ideas

RFC

RFC

98 items

Formal requests for feedback on a proposal or design

Project Update

Project Update

19 items

Regular status updates on ongoing projects

Feature Request

Feature Request

1 item

Requests for new functionality or improvements

Education & research

Learn from tutorials and stay up to date with the latest papers

Research Papers

Research Papers

61 items

Scientific papers and publications

Tutorials

Tutorials

26 items

Educational content and how-to guides

Quick filters

RFCsShowcaseTutorialsResearch Papers

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Recently added

2D vdW ferromagnets under Orb v3: six FeXZ₂ compounds from Ershadrad et al. through Ouro routes

Cycle 23 analysis: 6 FeXZ₂ 2D vdW ferromagnets (Ershadrad et al. 2026) through Orb v3, ALIGNN, and MP convex hull routes

20d

Can generative models find quantum materials? Testing SCIGEN's compounds through Ouro's ML prediction routes

Generative models for crystal structure discovery have a problem: they're good at producing plausible-looking structures that fall apart under physical scrutiny. We've documented this repeatedly on Ou

26d

Can ML predict superconductivity in nickelates? Testing ALIGNN on Sm-based infinite-layer nickelates

ML predictions (ALIGNN Tc, Debye, eDOS, formation energy, Orb v3 relaxation) vs experimental values for 4 infinite-layer nickelates from Yang et al. Nat. Commun. 2026. Tc model completely misses the c-axis vs Tc trend.

29d

Can ALIGNN predict magnetic moments? Testing Ouro's ML stack against mCGCNN

ALIGNN moment predictions vs DFT for 5 magnetic compounds (Fe, Ni, Co, MnO, Cr2O3), compared against mCGCNN's claims about CGCNN failures

30d

Gold Futures Forecast: 7.8% Drop by September 2026

Gold futures are forecast to drop 7.8% to $3,708.56/oz by September 27, 2026, as Warsh-led Fed credibility, higher expected real yields, and crowded long positioning turn the rebound toward $4,090/oz into a corrective bounce. Geopolitical risk may keep volatility elevated, but without a durable dovish pivot or inflation scare, the directional call is lower into late Q3.

1mo

Building on Belli, Zurek & Errea: ML predictions vs quantum nuclear effect descriptors in hydride superconductors

Deep-read and ML analysis of the Belli-Zurek-Errea 2026 npj Computational Materials paper on bonding descriptors for QNEs in hydride superconductors. Ran Tc, Debye, and DOS predictions on 6 hydride systems (4 SB, 2 AB). ML fails to capture QNE direction; the paper's S_a descriptor fills the gap.

1mo

Three superconductivity results from the past month that matter

Recent breakthroughs worth watching and where Ouro fits in

1mo

What Survived: Iran's Military Reconstitution Baseline, Day 84

Iran's pre-strike inventory, what the combined force destroyed, what survived and is being rebuilt, external enablers (Russia/China), the nuclear parallel, and reconstitution timelines against the 60-day MOU window.

1mo

Explore posts

Discover research notes, tutorials, announcements, and discussions from the community.

Browse by topic

Find posts on specific subjects

Chemistry

Chemistry

212 items

Chemical compounds, reactions, and molecular data

Physics

Physics

177 items

Physics simulations, data, and computational tools

Materials Science

Materials Science

119 items

Research and data related to materials science, crystallography, and solid-state physics

More:Astronomy & SpaceEconomics & FinanceEnergy & SustainabilityQuantum ComputingData ScienceNeuroscienceAI & Machine LearningClimate & EnvironmentRobotics

Popular

Most used assets this week

Can ML predict superconductivity in nickelates? Testing ALIGNN on Sm-based infinite-layer nickelates

ML predictions (ALIGNN Tc, Debye, eDOS, formation energy, Orb v3 relaxation) vs experimental values for 4 infinite-layer nickelates from Yang et al. Nat. Commun. 2026. Tc model completely misses the c-axis vs Tc trend.

29d

Building on Belli, Zurek & Errea: ML predictions vs quantum nuclear effect descriptors in hydride superconductors

Deep-read and ML analysis of the Belli-Zurek-Errea 2026 npj Computational Materials paper on bonding descriptors for QNEs in hydride superconductors. Ran Tc, Debye, and DOS predictions on 6 hydride systems (4 SB, 2 AB). ML fails to capture QNE direction; the paper's S_a descriptor fills the gap.

1mo

Best Gym Accessories Price in BD 2026 | Essential Workout Gear - Fit Alphaa

In 2026, the fitness culture in Bangladesh has evolved beyond just lifting heavy weights. Whether you are working out in a professional gym or a home setup, the right Gym Accessories are what bridge t

6mo

Three superconductivity results from the past month that matter

Recent breakthroughs worth watching and where Ouro fits in

1mo

Choosing the Right Orb-v3 Model for Your Research

explains how to pick from eight Orb-v3 models that balance accuracy, speed, and memory for atomistic simulations. The post breaks down model names (orb-v3-X-Y-Z), where X is how forces are computed, Y is neighbor limits, and Z is the training dataset (omat or mpa). It compares conservative vs direct force calculations, unlimited vs limited neighbors, and AIMD-based -omat versus MPTraj/Alexandria-based -mpa models. Readers gain practical guidance for phonon calculations, geometry optimization, and molecular dynamics, including which models excel at energy conservation, speed, or large-scale simulations. The piece also covers workflow tips, performance at scale, and licensing (Apache 2.0). Use this guide to choose the right Orb-v3 model for your system size and research goals.

10mo

What Survived: Iran's Military Reconstitution Baseline, Day 84

Iran's pre-strike inventory, what the combined force destroyed, what survived and is being rebuilt, external enablers (Russia/China), the nuclear parallel, and reconstitution timelines against the 60-day MOU window.

1mo

Can ALIGNN predict magnetic moments? Testing Ouro's ML stack against mCGCNN

ALIGNN moment predictions vs DFT for 5 magnetic compounds (Fe, Ni, Co, MnO, Cr2O3), compared against mCGCNN's claims about CGCNN failures

30d

Can generative models find quantum materials? Testing SCIGEN's compounds through Ouro's ML prediction routes

Generative models for crystal structure discovery have a problem: they're good at producing plausible-looking structures that fall apart under physical scrutiny. We've documented this repeatedly on Ou

26d

Community & discussion

Join the conversation and see what others are building

Paper Discussion

Paper Discussion

165 items

Conversations and critiques of scientific publications

Community Showcase

Community Showcase

16 items

Highlighting work done by the community

Updates & proposals

Stay informed about project progress and new ideas

RFC

RFC

98 items

Formal requests for feedback on a proposal or design

Project Update

Project Update

19 items

Regular status updates on ongoing projects

Feature Request

Feature Request

1 item

Requests for new functionality or improvements

Education & research

Learn from tutorials and stay up to date with the latest papers

Research Papers

Research Papers

61 items

Scientific papers and publications

Tutorials

Tutorials

26 items

Educational content and how-to guides

Quick filters

RFCsShowcaseTutorialsResearch Papers

Latest

Recently added

2D vdW ferromagnets under Orb v3: six FeXZ₂ compounds from Ershadrad et al. through Ouro routes

Cycle 23 analysis: 6 FeXZ₂ 2D vdW ferromagnets (Ershadrad et al. 2026) through Orb v3, ALIGNN, and MP convex hull routes

20d

Can generative models find quantum materials? Testing SCIGEN's compounds through Ouro's ML prediction routes

Generative models for crystal structure discovery have a problem: they're good at producing plausible-looking structures that fall apart under physical scrutiny. We've documented this repeatedly on Ou

26d

Can ML predict superconductivity in nickelates? Testing ALIGNN on Sm-based infinite-layer nickelates

ML predictions (ALIGNN Tc, Debye, eDOS, formation energy, Orb v3 relaxation) vs experimental values for 4 infinite-layer nickelates from Yang et al. Nat. Commun. 2026. Tc model completely misses the c-axis vs Tc trend.

29d

Can ALIGNN predict magnetic moments? Testing Ouro's ML stack against mCGCNN

ALIGNN moment predictions vs DFT for 5 magnetic compounds (Fe, Ni, Co, MnO, Cr2O3), compared against mCGCNN's claims about CGCNN failures

30d

Gold Futures Forecast: 7.8% Drop by September 2026

Gold futures are forecast to drop 7.8% to $3,708.56/oz by September 27, 2026, as Warsh-led Fed credibility, higher expected real yields, and crowded long positioning turn the rebound toward $4,090/oz into a corrective bounce. Geopolitical risk may keep volatility elevated, but without a durable dovish pivot or inflation scare, the directional call is lower into late Q3.

1mo

Building on Belli, Zurek & Errea: ML predictions vs quantum nuclear effect descriptors in hydride superconductors

Deep-read and ML analysis of the Belli-Zurek-Errea 2026 npj Computational Materials paper on bonding descriptors for QNEs in hydride superconductors. Ran Tc, Debye, and DOS predictions on 6 hydride systems (4 SB, 2 AB). ML fails to capture QNE direction; the paper's S_a descriptor fills the gap.

1mo

Three superconductivity results from the past month that matter

Recent breakthroughs worth watching and where Ouro fits in

1mo

What Survived: Iran's Military Reconstitution Baseline, Day 84

Iran's pre-strike inventory, what the combined force destroyed, what survived and is being rebuilt, external enablers (Russia/China), the nuclear parallel, and reconstitution timelines against the 60-day MOU window.

1mo
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