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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Modelling chemical proces" (30 stories)

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Modelling and estimation of chemical reaction yields from high-throughput experiments | Communications Chemistry
Lead StoryNatureworld
Jan 3

Modelling and estimation of chemical reaction yields from high-throughput experiments | Communications Chemistry

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9SMXZCdnpYdEk4Q1NZSzBubVFXUmZHQU9DRjk2NE52QktlN3lxZjNMRWw4NGNzQURjTmFhZTAwaHc0MWNLRHh4Z2NnMGkyU0tUQWs3a3ZLZXZBclkycDFZ?oc=5" target="_blank">Modelling and estimation of chemical reaction yields from high-throughput experiments | Communications Chemistry</a>  <font color="#6f6f6f">Nature</font>

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Search Results for "Modelling chemical proces"

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29 stories displayed
A knowledge graph framework for digital twins of chemical processes
Naturegeneral

A knowledge graph framework for digital twins of chemical processes

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBMbDZkalVNR214bXFKbTVEMVVuMGpFM2Z6Um9zaktOWlBrU0FSR1BkX0xrNGplblVVako3azhrcEZVTUY3SG8tV0V0VnZXTnQ3dVB2bW9ORUVKUE5Cck1J?oc=5" target="_blank">A knowledge graph framework for digital twins of chemical processes</a>  <font color="#6f6f6f">Nature</font>

BatGPT-Chem: A Foundation Large Model for Chemical Engineering
Science Partner Journalsworld

BatGPT-Chem: A Foundation Large Model for Chemical Engineering

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE92V1Z3MmZOcVNCeE90bTBvR3pFeDlFeHFvNjBBZmVyMUs4U1VYakhpd1c2QngydGFZcWVVT3AxeS03QlBsbkkxT3FfNEtmNi1wNGlrZjk1Y1JiUkY2Ni04?oc=5" target="_blank">BatGPT-Chem: A Foundation Large Model for Chemical Engineering</a>  <font color="#6f6f6f">Science Partner Journals</font>

New model predicts a chemical reaction’s point of no return
MIT Newsgeneral

New model predicts a chemical reaction’s point of no return

<a href="https://news.google.com/rss/articles/CBMijAFBVV95cUxPbVNaaG92TmFDT0kyX0dXenRjZklYUzVxemdMd3UyTkZ6SElXZ1Q4VlhtX3poVmJJallfZ1N5SHVncC1YMGZqSnMwRWx3d25GR3FCX2VJTFAxNVFZMGI0dGM3cG9DaXQ0OHNFeUVhMlp0MzR4NHFENVVuUEpSNGdXYmNqMDBJaGtUNDZZTA?oc=5" target="_blank">New model predicts a chemical reaction’s point of no return</a>  <font color="#6f6f6f">MIT News</font>

The Process Scaleup Journey Part 2: Using Modelling to De-risk Scaleup
The Chemical Engineergeneral

The Process Scaleup Journey Part 2: Using Modelling to De-risk Scaleup

<a href="https://news.google.com/rss/articles/CBMitgFBVV95cUxPek5heGk1TzBJY3Jjb0VCcWVMSFlGOFpaWjg2ZURPQlBHVnVrTFpRbi1sM2wxRkVNZXZnRS03c3d1cmdIQTFpcXdmVFdkclJrdU9OTDMyeGpCWjF5elpkQ2hsMlMzWm9teUVERU9JZGI5Z1lQWHMyRkJpNFNYRVNBUkxQUVdFeGhhYzBQVlRFcFltbDJiVGtZWVQ0ZzJ5ZExfOHhMdERwZ1RPVURXZ1RwVEhKQVozQQ?oc=5" target="_blank">The Process Scaleup Journey Part 2: Using Modelling to De-risk Scaleup</a>  <font color="#6f6f6f">The Chemical Engineer</font>

A Bayesian data modelling framework for chemical processes using adaptive sequential design with Gaussian process regression
Wiley Online Librarygeneral

A Bayesian data modelling framework for chemical processes using adaptive sequential design with Gaussian process regression

<a href="https://news.google.com/rss/articles/CBMiakFVX3lxTFBZTzBhaEZPZndjWnF1ZHhaYUUwWTZXSUpMbmR5NS01OXNhTmt3WHhDOHA1M3pBSTZ3bThTeW9BR3p0aFAzbkhWMjJsLVczb2NDWVRUYjlpNERCZHVBY2xHX1FXQ19RbldDbGc?oc=5" target="_blank">A Bayesian data modelling framework for chemical processes using adaptive sequential design with Gaussian process regression</a>  <font color="#6f6f6f">Wiley Online Library</font>

A new generative AI approach to predicting chemical reactions
MIT Newstech

A new generative AI approach to predicting chemical reactions

<a href="https://news.google.com/rss/articles/CBMijwFBVV95cUxOZDItVDZLUHg2UVBBSDQ2bHlQNWlEM1g2Q3llYmt1MzJwSV9oQllSaGhHcDROeF83VG10MUR6SWt6RE1wNTBCY1gwNEJKbDFZNVNJb3BTN3JjNGcwOEhZYUdueWFkYmstel80VmlZOEdzeTZZbE8tR1RzWnVPWTRUczFUNEhpM3l3YjdLbnlaQQ?oc=5" target="_blank">A new generative AI approach to predicting chemical reactions</a>  <font color="#6f6f6f">MIT News</font>

Reaction-conditioned generative model for catalyst design and optimization with CatDRX | Communications Chemistry
Natureworld

Reaction-conditioned generative model for catalyst design and optimization with CatDRX | Communications Chemistry

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1Yb19oWFpMb1BQNFV1bl82RUt6RzR5SkFCRW1wM2Nab3ZlUk9ZSW9ZLTFLTXQ3OHZMNGJvcGlaM2Rnd1ZLZzVlQ1lzcHU2bWk3TS0tam9QZ0xSUk1Ea293?oc=5" target="_blank">Reaction-conditioned generative model for catalyst design and optimization with CatDRX | Communications Chemistry</a>  <font color="#6f6f6f">Nature</font>

Computational model captures the elusive transition states of chemical reactions
MIT Newsgeneral

Computational model captures the elusive transition states of chemical reactions

<a href="https://news.google.com/rss/articles/CBMijgFBVV95cUxOUFhwODREaS10TWJKaU5TNFVLUHBJVnBrajBiR3NVMkZ3X0ltMWg2UE5iYk5zazlxOGhFck9tc0RRdTI1b3Q3dXE5STZXV0VmOE85UkFyYTJZcFdjTGZzTUxkZU1MTDJfZVVDWkR6MHpBaHBRTmU3OVZ1aVhfSGNXYmVoaF9KX2YyekpJZlNR?oc=5" target="_blank">Computational model captures the elusive transition states of chemical reactions</a>  <font color="#6f6f6f">MIT News</font>

Physics-informed machine learning for automatic model reduction in chemical reaction networks
Naturegeneral

Physics-informed machine learning for automatic model reduction in chemical reaction networks

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9uelUtQlVLWndnZkNlTGQtMGpTMmdsMjlFRHpPd0ZlYVEtbkpqdVpOcnlNWXphbUh2QklmMTZpbGNzeEREdVY0Vno1WHhQcWpsZk1BZDZyQUw0eHpqWWZv?oc=5" target="_blank">Physics-informed machine learning for automatic model reduction in chemical reaction networks</a>  <font color="#6f6f6f">Nature</font>

Modelling chemical processes in explicit solvents with machine learning potentials
Naturegeneral

Modelling chemical processes in explicit solvents with machine learning potentials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE84QjJ3c1dvLTh5U1FrZ3FkWG5yNUU0cDMwNWdORERkMjNWT1diZk1hZUdoVU13NS1ORkVXeC1DRklqMVdVNzJjSnlZZGpmZ2Z0WDIxVElTUENlbUJDcVJR?oc=5" target="_blank">Modelling chemical processes in explicit solvents with machine learning potentials</a>  <font color="#6f6f6f">Nature</font>

Roles of network topology in the relaxation dynamics of simple chemical reaction network models
Naturegeneral

Roles of network topology in the relaxation dynamics of simple chemical reaction network models

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE52TkdILWdNZ2JvMWpyTDJwNWR0RXRmTFpOSlVCY1lwNk5fQ21ESXJhaW9fcV9ZcnBablpWV3dIekU5UFE2T3dhZ2VOZ0RYaGpJQTVSMUxGOWExM3NxWlMw?oc=5" target="_blank">Roles of network topology in the relaxation dynamics of simple chemical reaction network models</a>  <font color="#6f6f6f">Nature</font>

Advancing chemical reaction prediction in data-scarce drug discovery with active and geometric deep learning
Naturegeneral

Advancing chemical reaction prediction in data-scarce drug discovery with active and geometric deep learning

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBmYWNfUHRoMV9jd19lbHJWWll1SS1tN2xWVUZIbkplSktwTHh1VWt5UEx3UlB6V3ExdHFzU1hHOTAxS3BmWTJUZXZDQVZXT005UWg5VHA1NG1JLTZYUVU0?oc=5" target="_blank">Advancing chemical reaction prediction in data-scarce drug discovery with active and geometric deep learning</a>  <font color="#6f6f6f">Nature</font>

Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias
Naturetech

Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9YUlgxVkRySjZ5cVVsRF9CeEtFcjlrYWlqcUVuZHg1bkVEaWxpMkdjenRNNGMxMm8wVE5aSl9paDM0THp3R28yQjNmNmRDQ2hTNVlxREwwbENVcWplaXNz?oc=5" target="_blank">Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias</a>  <font color="#6f6f6f">Nature</font>

An automatic end-to-end chemical synthesis development platform powered by large language models
Naturegeneral

An automatic end-to-end chemical synthesis development platform powered by large language models

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFAtSUpYYm41UkdZa01SbmFrdzMtOTNxZVo2V2Q3SXRUYU43WjdHWGlIVzE5X2JQLThaUXdZQ3RDT2czZVdrY1laMDRUVHE1bnhSTlZ0dVhkc3dVbTF6SE5J?oc=5" target="_blank">An automatic end-to-end chemical synthesis development platform powered by large language models</a>  <font color="#6f6f6f">Nature</font>

Bridging the gap between chemical reaction pretraining and conditional molecule generation with a unified model
Naturetech

Bridging the gap between chemical reaction pretraining and conditional molecule generation with a unified model

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9jYVpBYm91MlQ4aWwxQ2ZiOTVhaWFEVUhyb1BOMDFEOTBwZU9iczZKWW5iUkNaaHM1N0JkVWNGLW1ERC1NNTVXWVZza3gwTkJDQV90cEFCZ29aSDM5Z25F?oc=5" target="_blank">Bridging the gap between chemical reaction pretraining and conditional molecule generation with a unified model</a>  <font color="#6f6f6f">Nature</font>

Large language model guided automated reaction pathway exploration
Naturegeneral

Large language model guided automated reaction pathway exploration

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE80eXQtdUpjSEZBMTNqNzY4dWpGQzRDakVLZVQ3OWdaOUU2N3BlTVljTy1nSmkyNWdwanRHeVN4OUpsUGcyYzVJUC1zdU52U0NabnRvSG1YaGJQOHIzZUp3?oc=5" target="_blank">Large language model guided automated reaction pathway exploration</a>  <font color="#6f6f6f">Nature</font>

Deep Learning Reaction Framework (DLRN) for kinetic modeling of time-resolved data | Communications Chemistry
Natureworld

Deep Learning Reaction Framework (DLRN) for kinetic modeling of time-resolved data | Communications Chemistry

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1VVDFyQjFjamhQOXlFSUYtM25zQjd6STJaOTZfT3h2V3JYLTkyN3JVWVJYMVVfcjZGd0EzaHllM0ZxdlBsd3VwNUdwUl9NNzBVbWMwMUcxYXBfaGppekNj?oc=5" target="_blank">Deep Learning Reaction Framework (DLRN) for kinetic modeling of time-resolved data | Communications Chemistry</a>  <font color="#6f6f6f">Nature</font>

Optimal transport for generating transition states in chemical reactions
Naturegeneral

Optimal transport for generating transition states in chemical reactions

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1fanB6LVdYOW5kZm8zQ0hjQWZVVEJ5MnV5WUYxOE50ZHFYSFl4MlJCelFER3BTSUVFT3djVVV6TlZ2QktyaE9DSlQ3MGxLRnpyNVZuT19RX0stWHhFekdv?oc=5" target="_blank">Optimal transport for generating transition states in chemical reactions</a>  <font color="#6f6f6f">Nature</font>

Scale-up of complex molecular reaction system by hybrid mechanistic modeling and deep transfer learning
Naturegeneral

Scale-up of complex molecular reaction system by hybrid mechanistic modeling and deep transfer learning

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1FVUxpall6TGp6dTFYUEZfR2hvRnR6akRRUDB4cnZWMTkzQVpQTFdsc2FOMWpJc2FkdUVPSk5sZXp4amxPbnhCMlJVMlZyYms1T3p5OG9ZUF9ucDN3b3Zj?oc=5" target="_blank">Scale-up of complex molecular reaction system by hybrid mechanistic modeling and deep transfer learning</a>  <font color="#6f6f6f">Nature</font>

Modelling and simulation of electrochemical processing of solid polyolefin wastes by non-thermal plasma treatment: a mini-review
Frontiersgeneral

Modelling and simulation of electrochemical processing of solid polyolefin wastes by non-thermal plasma treatment: a mini-review

<a href="https://news.google.com/rss/articles/CBMikAFBVV95cUxPNEdvc3FfMEF1WjhvdG5DM2J5RVo1TkstTXFNd3U3NEVTamxMZnZPTWQtTkJGMVpMZlVqOFhnUnJWWVhrc2JrdkZydTBjLW5oQm41by1FdlVjOFhkQkp5NlI3VFp0VGRXV0U0cE54U2xxRzNfUUVnM3U2d0xmZGkxcjNDUXlVaDdRVU5XTmRVT0w?oc=5" target="_blank">Modelling and simulation of electrochemical processing of solid polyolefin wastes by non-thermal plasma treatment: a mini-review</a>  <font color="#6f6f6f">Frontiers</font>

Chemical reservoir computation in a self-organizing reaction network
Naturegeneral

Chemical reservoir computation in a self-organizing reaction network

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE80RXJVcDU4XzNwSHd5c0E2UW1MRER4Z2IxOWVDUDl1eHZkNFNIUU82TEZ2X1ZsUTdUb1ZxZFpvN2Q3dWNtZGlEZTFKak1mRmdHbTZFcE5RSEV3bm50am5B?oc=5" target="_blank">Chemical reservoir computation in a self-organizing reaction network</a>  <font color="#6f6f6f">Nature</font>

Nonlinear Reactor Design Optimization With Embedded Microkinetic Model Information
Frontiersgeneral

Nonlinear Reactor Design Optimization With Embedded Microkinetic Model Information

<a href="https://news.google.com/rss/articles/CBMingFBVV95cUxNcGItVXYzZkJDeXlVWUU4Vl9ObmVnUi14SWpWMEpvSWJlV2FYQ29jc1dfYmxpRlZnXzJsWkJSVTVXUk91US1USnRUR3dETFcwOGl5SW04WWNsSk8wRS1FQkU2ZDNKSnhfOTRyZldHWVR5WlIxWDczUHMzbUotaWxkU2EyaHpSdHlveTJIZVBFdFo2M3FLUFlBbUpab24tQQ?oc=5" target="_blank">Nonlinear Reactor Design Optimization With Embedded Microkinetic Model Information</a>  <font color="#6f6f6f">Frontiers</font>

A hybrid modelling approach to compare chemical separation technologies in terms of energy consumption and carbon dioxide emissions
Naturetech

A hybrid modelling approach to compare chemical separation technologies in terms of energy consumption and carbon dioxide emissions

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBiX1lFMk81Y1l4RlVjWHIwelpUYUt5dFRuV2ZkZ2dxUmEzanhsZEJFMHB4OHBkODA0TXdEakN6N0F0czBuM18xTW01NmVxY0ZuZGR3X3ZQaU15aFFwbVRj?oc=5" target="_blank">A hybrid modelling approach to compare chemical separation technologies in terms of energy consumption and carbon dioxide emissions</a>  <font color="#6f6f6f">Nature</font>

Augmenting large language models with chemistry tools
Naturegeneral

Augmenting large language models with chemistry tools

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5rMDJxeWJ0Qndhb1lLaXpHWWRNbFdlQUV1TmFVNWFRR2E2QTlTOWJ3OGJkNHZwSUFLYmlxZHVnMGVqdjB6ZGJ2Tkk2UW50b25mYTFkTS1nLUpKVEYtWEcw?oc=5" target="_blank">Augmenting large language models with chemistry tools</a>  <font color="#6f6f6f">Nature</font>

Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge
Naturegeneral

Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5WNjlhbHBWRDYwbWJGZnQ1Wlo0UkFWSXAyYWdMUXJYUVRYNzY1Rk90a0JCYV9XcGh4VmJoaGRfMzZiRjRfV01aT1BpdEIzWW0yanBGV2F6eXhjSTFQeEVr?oc=5" target="_blank">Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge</a>  <font color="#6f6f6f">Nature</font>

Exploring the programmability of autocatalytic chemical reaction networks
Naturegeneral

Exploring the programmability of autocatalytic chemical reaction networks

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE00SFJTQjJ5OFFJR3RVeFNJT2I1SVZtWHltM3ZUcWN6MXZYYlBXM3JqZGpzRG1mSDV5cjNoQmlGdVFVRnE1Z3dJSDViaEhwM0p3a2NHLVZWVzdJVFFZWE1J?oc=5" target="_blank">Exploring the programmability of autocatalytic chemical reaction networks</a>  <font color="#6f6f6f">Nature</font>

ChemFM as a scaling law guided foundation model pre-trained on informative chemicals
Naturetech

ChemFM as a scaling law guided foundation model pre-trained on informative chemicals

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1pd1lVQVYyU0llOXM0OUxmQWhlYnB1UlRrRm1WQTVqXzk5X2N3eXdfb1BYOTV6OV9ScWRCbXFPREE2bDFiRWNwbUxwRWFqNzE0VXlRVFg1ekhWU1BmNHJr?oc=5" target="_blank">ChemFM as a scaling law guided foundation model pre-trained on informative chemicals</a>  <font color="#6f6f6f">Nature</font>

Kinetic modelling and reactivity of liquid nitromethane under detonation conditions | Communications Chemistry
Natureworld

Kinetic modelling and reactivity of liquid nitromethane under detonation conditions | Communications Chemistry

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9yVTVPMmNXVmh6VDllRUZnU0dWSlZxcnRQRkVIQzlYbjZkNU55NUJLZHAxRWszd3hnLWk5OGdGY0hIbjZIRGtFZ2VhV1BQc09qM3JwVXVMLUZXRGdNOERv?oc=5" target="_blank">Kinetic modelling and reactivity of liquid nitromethane under detonation conditions | Communications Chemistry</a>  <font color="#6f6f6f">Nature</font>

A Mamba-based foundation model for materials
Natureworld

A Mamba-based foundation model for materials

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1TblZlRzl1R2d3YWFNU1RFUndkcWhTdzBZdnRxQWluQ0h5eTl3SVJvZUQ3cE9aQkJwcy1KUjdSUFlIbzROc20yNHAwbHZJZG5LMEw5RnZtRk54ek5YYXVj?oc=5" target="_blank">A Mamba-based foundation model for materials</a>  <font color="#6f6f6f">Nature</font>

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