Pierpaolo Morgante (He/His)
@piermorgante.bsky.social
#MachineLearning editor at @iopp-mlresearch.bsky.social (@ioppublishing.bsky.social). Theoretical chemist. LEGO fan. #DFT #compchem #chemistry #DogsofCompChem #Quantum
Proud member of #ChemSky
Personal+work account (all views my own)
📍Buffalo, NY
Proud member of #ChemSky
Personal+work account (all views my own)
📍Buffalo, NY
Pinned
🚨Challenges article alert!🚨
In this paper, Zhang, Wang and coworkers describe the #OpenLAMChallenges, competitions designed to benchmark #machinelearning methods and accelerate ML-driven discovery. Read the #MachineLearningScienceandTechnology article here: bit.ly/3TTlZtP 1/2
In this paper, Zhang, Wang and coworkers describe the #OpenLAMChallenges, competitions designed to benchmark #machinelearning methods and accelerate ML-driven discovery. Read the #MachineLearningScienceandTechnology article here: bit.ly/3TTlZtP 1/2
The first (of many, I hope!) challenges articles is finally out! Really excited to be able to provide this service to the #machinelearning community. If you're organizing #hackathons, #MLcompetitions, or similar, please reach out! @iopp-mlresearch.bsky.social #MachineLearningSeries
Reposted by Pierpaolo Morgante (He/His)
Great to see recent research published in CQG 'Detecting milli-Hz gravitational waves with optical resonators' featured in this Physics World article: physicsworld.com/a/phase-shif...
Phase shift in optical cavities could detect low-frequency gravitational waves – Physics World
Global network could pinpoint astronomical sources
physicsworld.com
November 26, 2025 at 8:42 AM
Great to see recent research published in CQG 'Detecting milli-Hz gravitational waves with optical resonators' featured in this Physics World article: physicsworld.com/a/phase-shif...
Reposted by Pierpaolo Morgante (He/His)
Last month JPhys Complexity published the first article in our 'Focus on Complex Quantum Networks' - 'Advantage of deterministic entanglement transmission on Gaussian-state quantum networks' by Yaqi Zhao, Kan He, Jinchuan Hou and Xiangyi Meng
iopscience.iop.org/article/10.1...
iopscience.iop.org/article/10.1...
November 26, 2025 at 9:44 AM
Last month JPhys Complexity published the first article in our 'Focus on Complex Quantum Networks' - 'Advantage of deterministic entanglement transmission on Gaussian-state quantum networks' by Yaqi Zhao, Kan He, Jinchuan Hou and Xiangyi Meng
iopscience.iop.org/article/10.1...
iopscience.iop.org/article/10.1...
Reposted by Pierpaolo Morgante (He/His)
looking for a 5y postdoc to work with Stephen Dale (scholar.google.com/citations?us...) and myself within a collaboration between the Acceleration consortium at UofT and the Institute for Functional Intelligent Materials at NUS.
scholar.google.com
November 25, 2025 at 4:48 PM
looking for a 5y postdoc to work with Stephen Dale (scholar.google.com/citations?us...) and myself within a collaboration between the Acceleration consortium at UofT and the Institute for Functional Intelligent Materials at NUS.
🆕🔖Check out this #openaccess article published in #MachineLearningEngineering 👉 Predicting electronic properties of π-conjugated organic polymers using machine learning for optoelectronic applications.
Download and cite today: https://ow.ly/35i550XtWue
Download and cite today: https://ow.ly/35i550XtWue
November 24, 2025 at 4:33 PM
Reposted by Pierpaolo Morgante (He/His)
🔖Read the recently published #perspective article on deploying generative #AI in #hospitals and #healthcare 👇
Read, download, and cite here: https://ow.ly/TKVy50XtVXG
Read, download, and cite here: https://ow.ly/TKVy50XtVXG
November 20, 2025 at 10:00 AM
🔖Read the recently published #perspective article on deploying generative #AI in #hospitals and #healthcare 👇
Read, download, and cite here: https://ow.ly/TKVy50XtVXG
Read, download, and cite here: https://ow.ly/TKVy50XtVXG
Reposted by Pierpaolo Morgante (He/His)
WooHoo! @chemrxiv.org has just crossed 10,000 papers (preprints) in the Theoretical and computational chemistry section! #compchem This is the largest section so far...
chemrxiv.org/engage/chemr...
chemrxiv.org/engage/chemr...
a close up of a red and white logo for coca cola
ALT: a close up of a red and white logo for coca cola
media.tenor.com
November 17, 2025 at 7:47 PM
WooHoo! @chemrxiv.org has just crossed 10,000 papers (preprints) in the Theoretical and computational chemistry section! #compchem This is the largest section so far...
chemrxiv.org/engage/chemr...
chemrxiv.org/engage/chemr...
Reposted by Pierpaolo Morgante (He/His)
Good article in CE News about quantum computing for chemistry !
5 milestones from our group:
First QC for QC paper:
lnkd.in/eZ94Zntn
VQE
lnkd.in/eDWNewrN
First experiment
lnkd.in/eehsCmVs
First scalable experiment
lnkd.in/eRjacRx7
GQE
lnkd.in/e9s7y4HS
#chemsky #compchemsky #quantumcomputing
5 milestones from our group:
First QC for QC paper:
lnkd.in/eZ94Zntn
VQE
lnkd.in/eDWNewrN
First experiment
lnkd.in/eehsCmVs
First scalable experiment
lnkd.in/eRjacRx7
GQE
lnkd.in/e9s7y4HS
#chemsky #compchemsky #quantumcomputing
November 14, 2025 at 8:39 PM
Good article in CE News about quantum computing for chemistry !
5 milestones from our group:
First QC for QC paper:
lnkd.in/eZ94Zntn
VQE
lnkd.in/eDWNewrN
First experiment
lnkd.in/eehsCmVs
First scalable experiment
lnkd.in/eRjacRx7
GQE
lnkd.in/e9s7y4HS
#chemsky #compchemsky #quantumcomputing
5 milestones from our group:
First QC for QC paper:
lnkd.in/eZ94Zntn
VQE
lnkd.in/eDWNewrN
First experiment
lnkd.in/eehsCmVs
First scalable experiment
lnkd.in/eRjacRx7
GQE
lnkd.in/e9s7y4HS
#chemsky #compchemsky #quantumcomputing
Reposted by Pierpaolo Morgante (He/His)
Come join me in Ireland @ucddublin.bsky.social @ucdchemistry.bsky.social! Help us understand the messiness of cross-talk in metal-ion batteries!
#BattChat #NewPI #sustainability #electrochem
#BattChat #NewPI #sustainability #electrochem
Please share!
The CoReACTER is hiring 1 PhD student (4 years, start date Sept. 1, 2026) to work on multi-scale modeling of reactivity in Li-ion and Na-ion batteries.
Apply by Jan. 16, 2026
#PhDjobs #PhDSky #CompChem #WomenInSTEM #LGBTQSTEM #BlackInSTEM #diversityinSTEM #LatinxSTEM #disabledinSTEM
The CoReACTER is hiring 1 PhD student (4 years, start date Sept. 1, 2026) to work on multi-scale modeling of reactivity in Li-ion and Na-ion batteries.
Apply by Jan. 16, 2026
#PhDjobs #PhDSky #CompChem #WomenInSTEM #LGBTQSTEM #BlackInSTEM #diversityinSTEM #LatinxSTEM #disabledinSTEM
www.ucd.ie
November 13, 2025 at 2:24 PM
Come join me in Ireland @ucddublin.bsky.social @ucdchemistry.bsky.social! Help us understand the messiness of cross-talk in metal-ion batteries!
#BattChat #NewPI #sustainability #electrochem
#BattChat #NewPI #sustainability #electrochem
It always makes my day when #MachineLearningScienceandTechnology is featured in the #JournalClub (@iopp-mlresearch.bsky.social). Thanks for sharing, @grynova.bsky.social 👏🏻😊
Latest #JournalClub by Liza Surzhikova visiting us from TU Braunschweig is on #activelearning and its uses in #chemistry www.grynova-ccc.org/journal-club...
November 12, 2025 at 1:57 PM
It always makes my day when #MachineLearningScienceandTechnology is featured in the #JournalClub (@iopp-mlresearch.bsky.social). Thanks for sharing, @grynova.bsky.social 👏🏻😊
Reposted by Pierpaolo Morgante (He/His)
I wonder if I should post more routinely that we do have monthly video meetings for anyone in the @fhi-aims.bsky.social community.
The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace.
#compchemsky (in case any FHI-aims users are there)
The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace.
#compchemsky (in case any FHI-aims users are there)
November 11, 2025 at 1:44 PM
I wonder if I should post more routinely that we do have monthly video meetings for anyone in the @fhi-aims.bsky.social community.
The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace.
#compchemsky (in case any FHI-aims users are there)
The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace.
#compchemsky (in case any FHI-aims users are there)
Reposted by Pierpaolo Morgante (He/His)
November 8, 2025 at 7:44 PM
Reposted by Pierpaolo Morgante (He/His)
Andrei Mihia @mareacaspica.bsky.social wrote a nice article on our AI for Science panel at the 12th Heidelberg Laureate Forum
scilogs.spektrum.de/hlf/is-ai-be...
scilogs.spektrum.de/hlf/is-ai-be...
Is AI Becoming a Scientific Collaborator, More Than a Tool?
We could be on the verge of a golden age for scientific discovery. Read more
scilogs.spektrum.de
November 7, 2025 at 2:02 PM
Andrei Mihia @mareacaspica.bsky.social wrote a nice article on our AI for Science panel at the 12th Heidelberg Laureate Forum
scilogs.spektrum.de/hlf/is-ai-be...
scilogs.spektrum.de/hlf/is-ai-be...
Reposted by Pierpaolo Morgante (He/His)
VAEs for molecular generation m: a novel take: arxiv.org/pdf/2511.02769
arxiv.org
November 6, 2025 at 4:28 PM
VAEs for molecular generation m: a novel take: arxiv.org/pdf/2511.02769
Reposted by Pierpaolo Morgante (He/His)
🚨 Job Alert
We're hiring our first Postdoc to work with us on our @erc.europa.eu Project on Generative AI for Particle Physics.
Check out the details below and don't hesitate to get in touch or spread the word!
Deadline: Nov 30th
inspirehep.net/jobs/3075448
We're hiring our first Postdoc to work with us on our @erc.europa.eu Project on Generative AI for Particle Physics.
Check out the details below and don't hesitate to get in touch or spread the word!
Deadline: Nov 30th
inspirehep.net/jobs/3075448
LinkedIn
This link will take you to a page that’s not on LinkedIn
lnkd.in
October 31, 2025 at 6:26 PM
🚨 Job Alert
We're hiring our first Postdoc to work with us on our @erc.europa.eu Project on Generative AI for Particle Physics.
Check out the details below and don't hesitate to get in touch or spread the word!
Deadline: Nov 30th
inspirehep.net/jobs/3075448
We're hiring our first Postdoc to work with us on our @erc.europa.eu Project on Generative AI for Particle Physics.
Check out the details below and don't hesitate to get in touch or spread the word!
Deadline: Nov 30th
inspirehep.net/jobs/3075448
Reposted by Pierpaolo Morgante (He/His)
New paper, with @rkhashmani.me @marielpettee.bsky.social @garrettmerz.bsky.social Hellen Qu. We introduce a framework for generating realistic, highly multimodal datasets with explicitly calculable mutual information. This is helpful for studying self-supervised learning
arxiv.org/abs/2510.21686
arxiv.org/abs/2510.21686
October 28, 2025 at 5:23 PM
New paper, with @rkhashmani.me @marielpettee.bsky.social @garrettmerz.bsky.social Hellen Qu. We introduce a framework for generating realistic, highly multimodal datasets with explicitly calculable mutual information. This is helpful for studying self-supervised learning
arxiv.org/abs/2510.21686
arxiv.org/abs/2510.21686
Reposted by Pierpaolo Morgante (He/His)
In last week’s #JournalClub, Stiv Llenga discusses the power of #xAI in #chemistry, feat. Müller, Doyle, @pschwllr.bsky.social @andrew.diffuse.one , Ruffin, and others www.grynova-ccc.org/journal-club...
October 28, 2025 at 6:02 PM
In last week’s #JournalClub, Stiv Llenga discusses the power of #xAI in #chemistry, feat. Müller, Doyle, @pschwllr.bsky.social @andrew.diffuse.one , Ruffin, and others www.grynova-ccc.org/journal-club...
Saddened to hear of the passing of Prof. Axel Becke. What he wrote in this article (pubs.aip.org/aip/jcp/arti..., @aip-publishing.bsky.social) is one of the reasons why I decided to pursue a doctorate in #compchem. Our community lost one of its giants
Perspective: Fifty years of density-functional theory in chemical physics
Since its formal inception in 1964–1965, Kohn-Sham density-functional theory (KS-DFT) has become the most popular electronic structure method in computational p
pubs.aip.org
October 27, 2025 at 1:04 PM
Saddened to hear of the passing of Prof. Axel Becke. What he wrote in this article (pubs.aip.org/aip/jcp/arti..., @aip-publishing.bsky.social) is one of the reasons why I decided to pursue a doctorate in #compchem. Our community lost one of its giants
Reposted by Pierpaolo Morgante (He/His)
CQG continues to publish new articles in our 'Gravitational Wave Physics and Astrophysics Ten Years After GW150914
' collection - here's 'Gravitational waves from core-collapse supernovae with no electromagnetic counterparts
' by Jade Powell and Bernhard Müller
iopscience.iop.org/article/10.1...
' collection - here's 'Gravitational waves from core-collapse supernovae with no electromagnetic counterparts
' by Jade Powell and Bernhard Müller
iopscience.iop.org/article/10.1...
Classical and Quantum Gravity @ioppublishing.bsky.social is celebrating the 10th anniversary of the first Gravitational Wave detection with a focus issue guest edited by Katerina Chatziioannou and Peter Shawhan: iopscience.iop.org/collections/...
October 24, 2025 at 12:26 PM
CQG continues to publish new articles in our 'Gravitational Wave Physics and Astrophysics Ten Years After GW150914
' collection - here's 'Gravitational waves from core-collapse supernovae with no electromagnetic counterparts
' by Jade Powell and Bernhard Müller
iopscience.iop.org/article/10.1...
' collection - here's 'Gravitational waves from core-collapse supernovae with no electromagnetic counterparts
' by Jade Powell and Bernhard Müller
iopscience.iop.org/article/10.1...
Reposted by Pierpaolo Morgante (He/His)
🔥We're excited to announce a major milestone for the machine-learned interatomic potential (MLIP) ecosystem: TorchSim is moving to community ownership and governance through a partnership with Radical AI and the open-source community! TorchSim is an atomistic simulation engine built for the AI era.
October 15, 2025 at 7:06 PM
🔥We're excited to announce a major milestone for the machine-learned interatomic potential (MLIP) ecosystem: TorchSim is moving to community ownership and governance through a partnership with Radical AI and the open-source community! TorchSim is an atomistic simulation engine built for the AI era.
Reposted by Pierpaolo Morgante (He/His)
Recently published article in #MachineLearningEngineering
"Exploring model #generalizability from a novel perspective"
👉Read, download and cite here: ow.ly/wq2z50X9ziZ
From Sunyang Wang, Baodi Yu and Fanyong Meng, Institute of Process Engineering, Chinese Academy of Sciences
"Exploring model #generalizability from a novel perspective"
👉Read, download and cite here: ow.ly/wq2z50X9ziZ
From Sunyang Wang, Baodi Yu and Fanyong Meng, Institute of Process Engineering, Chinese Academy of Sciences
October 10, 2025 at 7:40 AM
Recently published article in #MachineLearningEngineering
"Exploring model #generalizability from a novel perspective"
👉Read, download and cite here: ow.ly/wq2z50X9ziZ
From Sunyang Wang, Baodi Yu and Fanyong Meng, Institute of Process Engineering, Chinese Academy of Sciences
"Exploring model #generalizability from a novel perspective"
👉Read, download and cite here: ow.ly/wq2z50X9ziZ
From Sunyang Wang, Baodi Yu and Fanyong Meng, Institute of Process Engineering, Chinese Academy of Sciences
Reposted by Pierpaolo Morgante (He/His)
Today’s #JournalClub from Gregor discusses accurate and affordable composite #DFT (3c) methods for molecules and materials from @grimmelab.bsky.social #compchem www.grynova-ccc.org/journal-club...
October 9, 2025 at 2:38 PM
Today’s #JournalClub from Gregor discusses accurate and affordable composite #DFT (3c) methods for molecules and materials from @grimmelab.bsky.social #compchem www.grynova-ccc.org/journal-club...
Reposted by Pierpaolo Morgante (He/His)
The 2025 #NobelPrize in Chemistry has been awarded to Susumu Kitagawa, Richard Robson and Omar M. Yaghi “for the development of metal–organic frameworks.” Stay tuned for the full story to come! cen.acs.org/people/nobel...
#ChemNobel #Chem #Chemistry #chemsky 🧪
#ChemNobel #Chem #Chemistry #chemsky 🧪
The 2025 chemistry Nobel goes to MOFs
Susumu Kitagawa, Richard Robson and Omar M. Yaghi win the prize for developing metal–organic frameworks
cen.acs.org
October 8, 2025 at 10:12 AM
The 2025 #NobelPrize in Chemistry has been awarded to Susumu Kitagawa, Richard Robson and Omar M. Yaghi “for the development of metal–organic frameworks.” Stay tuned for the full story to come! cen.acs.org/people/nobel...
#ChemNobel #Chem #Chemistry #chemsky 🧪
#ChemNobel #Chem #Chemistry #chemsky 🧪
Reposted by Pierpaolo Morgante (He/His)
Recently published in #MachineLearningEarth, enhancing seismic hazard assessment, using deep generative models
📑Read the research here: ow.ly/wrlk50X5ssw
From Ravi Kanth Sriwastav et al (Indian Institute of Technology Madras)
📑Read the research here: ow.ly/wrlk50X5ssw
From Ravi Kanth Sriwastav et al (Indian Institute of Technology Madras)
October 2, 2025 at 9:31 AM
Recently published in #MachineLearningEarth, enhancing seismic hazard assessment, using deep generative models
📑Read the research here: ow.ly/wrlk50X5ssw
From Ravi Kanth Sriwastav et al (Indian Institute of Technology Madras)
📑Read the research here: ow.ly/wrlk50X5ssw
From Ravi Kanth Sriwastav et al (Indian Institute of Technology Madras)
Reposted by Pierpaolo Morgante (He/His)
📢Several PhD and Postdoc positions in my group (focusing on AI for Scientific Discovery in Physics) at @unituebingen.bsky.social
If you are excited about using AI to design new ways for observing the universe, please apply here: uni-tuebingen.de/en/128980#c2...
If you are excited about using AI to design new ways for observing the universe, please apply here: uni-tuebingen.de/en/128980#c2...
October 1, 2025 at 11:43 PM
📢Several PhD and Postdoc positions in my group (focusing on AI for Scientific Discovery in Physics) at @unituebingen.bsky.social
If you are excited about using AI to design new ways for observing the universe, please apply here: uni-tuebingen.de/en/128980#c2...
If you are excited about using AI to design new ways for observing the universe, please apply here: uni-tuebingen.de/en/128980#c2...
Woohoo!! Delighted to see this on @iopp-quantum.bsky.social! Thank you so much, @thematterlab.bsky.social, for publishing with us 🥳 #QuantumScienceandTechnology
Excited to share our new article: “Quantum algorithm for vibronic dynamics: case study on singlet fission solar cell design”, now published in Quantum Science and Technology!
📜 Paper: doi.org/10.1088/2058...
📝 Blog post overview: pennylane.ai/blog/2025/02...
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📜 Paper: doi.org/10.1088/2058...
📝 Blog post overview: pennylane.ai/blog/2025/02...
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September 30, 2025 at 5:07 PM
Woohoo!! Delighted to see this on @iopp-quantum.bsky.social! Thank you so much, @thematterlab.bsky.social, for publishing with us 🥳 #QuantumScienceandTechnology