Search results for "Chemistry"

Hits ?▲	Authors	Title	Venue	Year	Link
12	Zhaoxuan Xie, Yinxuan Song, Fangwen Peng, Jianhao Li, Yifan Cheng, Lingzhi Zhang, Yingjin Ma, Yingqi Tian, Zhen Luo, Haibo Ma	Kylin 1.0: An ab-initio density matrix renormalization group quantum chemistry program.	J. Comput. Chem.	2023	DBLP DOI BibTeX RDF
12	Taewon David Kim, Michael Richer, Gabriela Sánchez-Díaz, Ramón Alain Miranda-Quintana, Toon Verstraelen, Farnaz Heidar-Zadeh, Paul W. Ayers	Fanpy: A python library for prototyping multideterminant methods in ab initio quantum chemistry.	J. Comput. Chem.	2023	DBLP DOI BibTeX RDF
12	Arkadeep Sarkar, Lucia Sessa, Francesco Marrafino, Stefano Piotto	GUIDE: A GUI for automated quantum chemistry calculations.	J. Comput. Chem.	2023	DBLP DOI BibTeX RDF
12	György Keglevich	Chemistry: Symmetry/Asymmetry.	Symmetry	2023	DBLP DOI BibTeX RDF
12	Elena S. Zhitova, Rezeda M. Sheveleva, Anastasia N. Kupchinenko, Andrey A. Zolotarev, Igor V. Pekov, Anton A. Nuzhdaev, Vesta O. Davydova, Natalia S. Vlasenko, Ekaterina Y. Plutakhina, Vasiliy O. Yapaskurt, Peter E. Schweigert, Tatiana F. Semenova	The Crystal Chemistry of Voltaite-Group Minerals from Post-Volcanic and Anthropogenic Occurrences.	Symmetry	2023	DBLP DOI BibTeX RDF
12	Alexander S. Novikov 0002	Symmetry in Quantum and Computational Chemistry: Volume 2.	Symmetry	2023	DBLP DOI BibTeX RDF
12	Dan-Marian Joita, Mihaela Aurelia Tomescu, Lorentz Jäntschi	Counting Polynomials in Chemistry: Past, Present, and Perspectives.	Symmetry	2023	DBLP DOI BibTeX RDF
12	Michal Rachwalski	Special Issue: Asymmetry and Symmetry in Organic Chemistry.	Symmetry	2023	DBLP DOI BibTeX RDF
12	Joseph S. Francisco	Fundamental Insights into the Control of Chemical Reactions using Lasers: 2023 Benjamin Franklin Medal in Chemistry presented to Richard N. Zare, Ph.D.	J. Frankl. Inst.	2023	DBLP DOI BibTeX RDF
12	Paola Lecca, Michela Lecca	Graph embedding and geometric deep learning relevance to network biology and structural chemistry.	Frontiers Artif. Intell.	2023	DBLP DOI BibTeX RDF
12	Samuel Boobier, Joseph C. Davies, Ivan N. Derbenev, Christopher M. Handley, Jonathan D. Hirst	AI4Green: An Open-Source ELN for Green and Sustainable Chemistry.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Jyotsnamayee Nayak, Ashita Sood, Mahesh Kulharia, Suban K. Sahoo, Rajender Kumar	Structural Distortion of β-Cyclodextrin Plays a Key Role in the pH-dependent Host-Guest Chemistry with Doxorubicin, Evident by the Electrochemical and Molecular Dynamics Approach.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Evan M. Askenazi, Emanuel A. Lazar, Ilya Grinberg	Identification of High-Reliability Regions of Machine Learning Predictions Based on Materials Chemistry.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Lin Wei, Min Xu, Zhiqiang Liu, Chongguo Jiang, Xiaohua Lin, Yaogang Hu, Xiaoming Wen, Rongfeng Zou, Chunwang Peng, Hongrui Lin, Guo Wang, Lijun Yang, Lei Fang, Mingjun Yang, Peiyu Zhang	Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Mirko Paulikat, GiovanniMaria Piccini, Emiliano Ippoliti, Giulia Rossetti, Fabio Arnesano, Paolo Carloni	Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Rocío Mercado, Steven M. Kearnes, Connor W. Coley	Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Esther Heid, Charles McGill, Florence H. Vermeire, William H. Green Jr.	Characterizing Uncertainty in Machine Learning for Chemistry.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Po-Yu Kao, Ya-Chu Yang, Wei-Yin Chiang, Jen-Yueh Hsiao, Yudong Cao, Alex Aliper, Feng Ren, Alán Aspuru-Guzik, Alex Zhavoronkov, Min-Hsiu Hsieh, Yen-Chu Lin	Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Alexander Hagg, Karl N. Kirschner	Open-Source Machine Learning in Computational Chemistry.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Cayque Monteiro Castro Nascimento, André Silva Pimentel	Do Large Language Models Understand Chemistry? A Conversation with ChatGPT.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
12	Jie Pan 0002	Large language model for molecular chemistry.	Nat. Comput. Sci.	2023	DBLP DOI BibTeX RDF
12	Yiwei Liu, Cheng Zhang, Zhonghua Liu, Donald G. Truhlar, Ying Wang, Xiao He 0004	Supervised learning of a chemistry functional with damped dispersion.	Nat. Comput. Sci.	2023	DBLP DOI BibTeX RDF
12	Rüdiger Tiemann, Amany Annaggar	A framework for the theory-driven design of digital learning environments (FDDLEs) using the example of problem-solving in chemistry education.	Interact. Learn. Environ.	2023	DBLP DOI BibTeX RDF
12	Janan Saba, Hagit Hel-Or, Sharona T. Levy	Much.Matter.in.Motion: learning by modeling systems in chemistry and physics with a universal programing platform.	Interact. Learn. Environ.	2023	DBLP DOI BibTeX RDF
12	Kenneth W. Leiter, James P. Larentzos, Brian C. Barnes, John K. Brennan, Richard Becker, Jaroslaw Knap	Temporal scale-bridging of chemistry in a multiscale model: Application to reactivity of an energetic material.	J. Comput. Phys.	2023	DBLP DOI BibTeX RDF
12	Ahmad Peyvan, Khemraj Shukla, Jesse Chan, George E. Karniadakis	High-order methods for hypersonic flows with strong shocks and real chemistry.	J. Comput. Phys.	2023	DBLP DOI BibTeX RDF
12	Siwar Badreddine, Igor Chollet, Laura Grigori	Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry.	J. Comput. Phys.	2023	DBLP DOI BibTeX RDF
12	Payal B. Joshi	Navigating with chemometrics and machine learning in chemistry.	Artif. Intell. Rev.	2023	DBLP DOI BibTeX RDF
12	Wajeeh Daher, Hussam Diab, Anwar Rayan	Artificial Intelligence Generative Tools and Conceptual Knowledge in Problem Solving in Chemistry.	Inf.	2023	DBLP DOI BibTeX RDF
12	Alexandros Filippas, Stelios Xinogalos	Elementium: design and pilot evaluation of a serious game for familiarizing players with basic chemistry.	Educ. Inf. Technol.	2023	DBLP DOI BibTeX RDF
12	Majuto Manyilizu	Effectiveness of virtual laboratory vs. paper-based experiences to the hands-on chemistry practical in Tanzanian secondary schools.	Educ. Inf. Technol.	2023	DBLP DOI BibTeX RDF
12	Ezechiel Nsabayezu, Aloys Iyamuremye, Janvier Mukiza, Agnes Mbonyiryivuze, Emmanuel Gakuba, Francois Niyongabo Niyonzima, Theophile Nsengimana	Impact of computer-based simulations on students' learning of organic chemistry in the selected secondary schools of Gicumbi District in Rwanda.	Educ. Inf. Technol.	2023	DBLP DOI BibTeX RDF
12	Ezechiel Nsabayezu, Aloys Iyamuremye, Agnes Mbonyiryivuze, Francois Niyongabo Niyonzima, Janvier Mukiza	Digital-based formative assessment to support students' learning of organic chemistry in selected secondary schools of Nyarugenge District in Rwanda.	Educ. Inf. Technol.	2023	DBLP DOI BibTeX RDF
12	Jamil Jasin, Ng He Tong, Indriyati Atmosukarto, Prasad Iyer, Faiezin Osman, Kelly Wong Peng Yu, Ching Yee Pua, Wean Sin Cheow	The implementation of chatbot-mediated immediacy for synchronous communication in an online chemistry course.	Educ. Inf. Technol.	2023	DBLP DOI BibTeX RDF
12	Aloys Iyamuremye, Janvier Mukiza, Theophile Nsengimana, Edwige Kampire, Habimana Sylvain, Ezechiel Nsabayezu	Knowledge construction in chemistry through web-based learning strategy: a synthesis of literature.	Educ. Inf. Technol.	2023	DBLP DOI BibTeX RDF
12	Ailin Xie, Ziqiao Zhang, Jihong Guan, Shuigeng Zhou	Self-supervised learning with chemistry-aware fragmentation for effective molecular property prediction.	Briefings Bioinform.	2023	DBLP DOI BibTeX RDF
12	Zeshi Liu, Zhen Xie, Wenqian Dong, Mengting Yuan, Haihang You, Dong Li 0001	A heterogeneous processing-in-memory approach to accelerate quantum chemistry simulation.	Parallel Comput.	2023	DBLP DOI BibTeX RDF
12	Numan Ali, Sehat Ullah, Mohammad Raees 0001	The effect of task specific aids on students' performance and minimization of cognitive load in a virtual reality chemistry laboratory.	Comput. Animat. Virtual Worlds	2023	DBLP DOI BibTeX RDF
12	Manuel Krug, Johannes Huwer	Safety in the Laboratory - An Exit Game Lab Rally in Chemistry Education.	Comput.	2023	DBLP DOI BibTeX RDF
12	Chuhan Shi, Fei Nie, Yicheng Hu, Yige Xu 0001, Lei Chen 0002, Xiaojuan Ma, Qiong Luo 0001	MedChemLens: An Interactive Visual Tool to Support Direction Selection in Interdisciplinary Experimental Research of Medicinal Chemistry.	IEEE Trans. Vis. Comput. Graph.	2023	DBLP DOI BibTeX RDF
12	Yinan Yang 0004, Tsukasa Hori, Shinya Sawada, Fumiteru Akamatsu	Development of a Chemistry Dynamic Load Balancing Solver with Sparse Analytical Jacobian Approach for Rapid and Accurate Reactive Flow Simulations.	CoRR	2023	DBLP DOI BibTeX RDF
12	Ricardo Vega, Kevin Zhu, Connor Mattson, Daniel S. Brown, Cameron Nowzari	Swarm Mechanics and Swarm Chemistry: A Transdisciplinary Approach for Robot Swarms.	CoRR	2023	DBLP DOI BibTeX RDF
12	Mani Valleti, Yongtao Liu, Sergei V. Kalinin	Physics and Chemistry from Parsimonious Representations: Image Analysis via Invariant Variational Autoencoders.	CoRR	2023	DBLP DOI BibTeX RDF
12	Emil Dimitrov, Goar Sánchez-Sanz, James Nelson, Lee J. O'Riordan, Myles Doyle, Sean Courtney, Venkatesh Kannan, Hassan Naseri, Alberto Garcia Garcia, James Tricker, Marisa Faraggi, Joshua Goings, Luning Zhao	Pushing the Limits of Quantum Computing for Simulating PFAS Chemistry.	CoRR	2023	DBLP DOI BibTeX RDF
12	Daniel Burgarth, Paolo Facchi, Alexander Hahn, Mattias Johnsson, Kazuya Yuasa	Strong Error Bounds for Trotter & Strang-Splittings and Their Implications for Quantum Chemistry.	CoRR	2023	DBLP DOI BibTeX RDF
12	Pavlo O. Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Olexandr Isayev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Jr, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou	MLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows.	CoRR	2023	DBLP DOI BibTeX RDF
12	Oscar Morris, Russell Morris	Automated Feedback Generation for a Chemistry Database and Abstracting Exercise.	CoRR	2023	DBLP DOI BibTeX RDF
12	Chris Beeler, Sriram Ganapathi Subramanian, Kyle Sprague, Nouha Chatti, Colin Bellinger, Mitchell Shahen, Nicholas Paquin, Mark Baula, Amanuel Dawit, Zihan Yang, Xinkai Li, Mark Crowley 0001, Isaac Tamblyn	ChemGymRL: An Interactive Framework for Reinforcement Learning for Digital Chemistry.	CoRR	2023	DBLP DOI BibTeX RDF
12	Alex Brown, Thomas M. Bendall, Ian Boutle, Thomas Melvin, Ben Shipway	Physics-Dynamics-Chemistry Coupling Across Different Meshes in LFRic-Atmosphere: Formulation and Idealised Tests.	CoRR	2023	DBLP DOI BibTeX RDF
12	Mohammadamin Tavakoli, Yin Ting T. Chiu, Alexander Shmakov, Ann Marie Carlton, David Van Vranken, Pierre Baldi	AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning.	CoRR	2023	DBLP DOI BibTeX RDF
12	Roy T. Forestano, Konstantin T. Matchev, Katia Matcheva, Eyup B. Unlu	Searching for Novel Chemistry in Exoplanetary Atmospheres using Machine Learning for Anomaly Detection.	CoRR	2023	DBLP DOI BibTeX RDF
12	Zhiling Zheng, Oufan Zhang, Christian Borgs, Jennifer T. Chayes, Omar M. Yaghi	ChatGPT Chemistry Assistant for Text Mining and Prediction of MOF Synthesis.	CoRR	2023	DBLP DOI BibTeX RDF
12	Renato P. dos Santos	Enhancing Chemistry Learning with ChatGPT and Bing Chat as Agents to Think With: A Comparative Case Study.	CoRR	2023	DBLP DOI BibTeX RDF
12	Yangjun Wu, Chu Guo, Yi Fan, Pengyu Zhou, Honghui Shang	NNQS-Transformer: an Efficient and Scalable Neural Network Quantum States Approach for Ab initio Quantum Chemistry.	CoRR	2023	DBLP DOI BibTeX RDF
12	Siru Ouyang, Zhuosheng Zhang 0001, Bing Yan, Xuan Liu, Jiawei Han 0001, Lianhui Qin	Structured Chemistry Reasoning with Large Language Models.	CoRR	2023	DBLP DOI BibTeX RDF
12	Renato P. dos Santos	Enhancing Chemistry Learning with ChatGPT, Bing Chat, Bard, and Claude as Agents-to-Think-With: A Comparative Case Study.	CoRR	2023	DBLP DOI BibTeX RDF
12	Alan E. Rask, Lee Huntington, SungYeon Kim, David Walker 0006, Andrew Wildman, Rodrigo Wang, Nicole Hazel, Alan Judi, James T. Pegg, Punit K. Jha, Zara Mayimfor, Carl Dukatz, Hassan Naseri, Ilan Gleiser, Maxime R. Hugues, Paul M. Zimmerman, Arman Zaribafiyan, Rudi Plesch, Takeshi Yamazaki	Massively parallel quantum chemistry: PFAS on over 1 million cloud vCPUs.	CoRR	2023	DBLP DOI BibTeX RDF
12	Xiaokai Qin, Mingda Song, Yangguan Chen, Zhehong Ai, Jing Jiang	GPT-Lab: Next Generation Of Optimal Chemistry Discovery By GPT Driven Robotic Lab.	CoRR	2023	DBLP DOI BibTeX RDF
12	Andres M. Bran, Philippe Schwaller	Transformers and Large Language Models for Chemistry and Drug Discovery.	CoRR	2023	DBLP DOI BibTeX RDF
12	Hyunseung Kim, Haeyeon Choi, Dongju Kang, Won Bo Lee, Jonggeol Na	Materials Discovery with Extreme Properties via AI-Driven Combinatorial Chemistry.	CoRR	2023	DBLP DOI BibTeX RDF
12	Zhiling Zheng, Zhiguo He, Omar Khattab, Nakul Rampal, Matei A. Zaharia, Christian Borgs, Jennifer T. Chayes, Omar M. Yaghi	Image and Data Mining in Reticular Chemistry Using GPT-4V.	CoRR	2023	DBLP DOI BibTeX RDF
12	Geemi P. Wellawatte, Philippe Schwaller	Extracting human interpretable structure-property relationships in chemistry using XAI and large language models.	CoRR	2023	DBLP DOI BibTeX RDF
12	Franz M. Rohrhofer, Stefan Posch, Clemens Gößnitzer, José M. García-Oliver, Bernhard C. Geiger	Bringing Chemistry to Scale: Loss Weight Adjustment for Multivariate Regression in Deep Learning of Thermochemical Processes.	CoRR	2023	DBLP DOI BibTeX RDF
12	Fabio J. Cortes Rodriguez, Gianfranco Frattini, Fernando Teixeira Pinto Meireles, Danae A. Terrien, Sergio Cruz-Leon, Matteo Dal Peraro, Eva Schier, Diego M. Moreno, Luciano A. Abriata	MolecularWebXR: Multiuser discussions about chemistry and biology in immersive and inclusive VR.	CoRR	2023	DBLP DOI BibTeX RDF
12	Anuj Kumar, Tarek Echekki	A Framework for Combustion Chemistry Acceleration with DeepONets.	CoRR	2023	DBLP DOI BibTeX RDF
12	Yujie Qian, Zhening Li, Zhengkai Tu, Connor W. Coley, Regina Barzilay	Predictive Chemistry Augmented with Text Retrieval.	CoRR	2023	DBLP DOI BibTeX RDF
12	Tommaso Nottoli, Ivan Giannì, Antoine Levitt, Filippo Lipparini	A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry.	CoRR	2023	DBLP DOI BibTeX RDF
12	Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M. Bran, Stefan Bringuier, L. Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A. de Jong, Matthew L. Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K. Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W. Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Rankovic, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Heck, Christoph Völker, Logan T. Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, K. J. Schmidt, Ian T. Foster, Andrew D. White, Ben Blaiszik	14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon.	CoRR	2023	DBLP DOI BibTeX RDF
12	Giovanna Kobus Conrado, Amir Kafshdar Goharshady, Harshit J. Motwani, Sergei Novozhilov	Parameterized Algorithms for Topological Indices in Chemistry.	CoRR	2023	DBLP DOI BibTeX RDF
12	Amina Diop, Ilse Cleeves, Dana Anderson, Jamila Pegues, Adele Plunkett	Disentangling CO Chemistry in a Protoplanetary Disk Using Explanatory Machine Learning Techniques.	CoRR	2023	DBLP DOI BibTeX RDF
12	Maxime Dalery, Geneviève Dusson, Virginie Ehrlacher, Alexei Lozinski	Nonlinear reduced basis using mixture Wasserstein barycenters: application to an eigenvalue problem inspired from quantum chemistry.	CoRR	2023	DBLP DOI BibTeX RDF
12	Taicheng Guo, Kehan Guo, Bozhao Nan, Zhengwen Liang, Zhichun Guo, Nitesh V. Chawla, Olaf Wiest, Xiangliang Zhang 0001	What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks.	CoRR	2023	DBLP DOI BibTeX RDF
12	Julius L. A. M. Hendrix, Amy J. Louca, Yamila Miguel	Using a neural network approach to accelerate disequilibrium chemistry calculations in exoplanet atmospheres.	CoRR	2023	DBLP DOI BibTeX RDF
12	Zhangyang Gao, Yuqi Hu, Cheng Tan 0012, Stan Z. Li	PrefixMol: Target- and Chemistry-aware Molecule Design via Prefix Embedding.	CoRR	2023	DBLP DOI BibTeX RDF
12	Mohammad Sajjad Ghaemi, Hang Hu 0017, Anguang Hu, Hsu Kiang Ooi	CHA2: CHemistry Aware Convex Hull Autoencoder Towards Inverse Molecular Design.	CoRR	2023	DBLP DOI BibTeX RDF
12	Chengchun Liu, Yuntian Chen, Fanyang Mo	Transforming organic chemistry research paradigms: moving from manual efforts to the intersection of automation and artificial intelligence.	CoRR	2023	DBLP DOI BibTeX RDF
12	Amol Salunkhe, Dwyer Deighan, Paul E. DesJardin, Varun Chandola	Physics informed machine learning for chemistry tabulation.	J. Comput. Sci.	2023	DBLP DOI BibTeX RDF
12	Eline R. Tsai, Derya Demirtas, Andrei N. Tintu, Robert de Jonge, Yolanda B. de Rijke, Richard J. Boucherie	Design of fork-join networks of First-In-First-Out and infinite-server queues applied to clinical chemistry laboratories.	Eur. J. Oper. Res.	2023	DBLP DOI BibTeX RDF
12	Chu Guo, Yi Fan, Zhiqian Xu 0005, Honghui Shang	Differentiable matrix product states for simulating variational quantum computational chemistry.	Quantum	2023	DBLP DOI BibTeX RDF
12	Xun Wang, Lulu Wang, Shuang Wang, Yongqi Ren, Wenqi Chen, Xue Li, Peifu Han, Tao Song 0001	QuantumTox: Utilizing quantum chemistry with ensemble learning for molecular toxicity prediction.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
12	Ioannis Michos, Vasilios Raptis	Graph Partitions in Chemistry.	Entropy	2023	DBLP DOI BibTeX RDF
12	Ermanno Vasca, Francesco Siano, Tonino Caruso	Fluorescence Detecting of Paraquat and Diquat Using Host-Guest Chemistry with a Fluorophore-Pendant Calix[6]arene.	Sensors	2023	DBLP DOI BibTeX RDF
12	Adnan Mujahid, Adeel Afzal, Franz L. Dickert	Transitioning from Supramolecular Chemistry to Molecularly Imprinted Polymers in Chemical Sensing.	Sensors	2023	DBLP DOI BibTeX RDF
12	Everton Bedin, Murilo S. Marques, Maria das Graças Cleophas	Research on the Content, Technological, and Pedagogical Knowledge (TPACK) of Chemistry Teachers During Remote Teaching in the Pandemic in the Light of Students' Perceptions.	J. Inf. Technol. Educ. Res.	2023	DBLP DOI BibTeX RDF
12	Jay Paul Morgan, Adeline Paiement, Christian Klinke	Domain-informed graph neural networks: A quantum chemistry case study.	Neural Networks	2023	DBLP DOI BibTeX RDF
12		Section C: Biology and Medicine Section D: Chemistry and Physics.	J. Comput. Methods Sci. Eng.	2023	DBLP BibTeX RDF
12	Bertrand Bessagnet, Enrico Pisoni, Alexander de Meij, Laurent Létinois, Philippe Thunis	A simple and fast method to downscale chemistry transport model output fields from the regional to the urban/district scale.	Environ. Model. Softw.	2023	DBLP DOI BibTeX RDF
12	Dominik Lemm, Guido Falk von Rudorff, O. Anatole von Lilienfeld	Improved decision making with similarity based machine learning: applications in chemistry.	Mach. Learn. Sci. Technol.	2023	DBLP DOI BibTeX RDF
12	Yu Zhang 0108, Qingguo Lin, Wenli Du, Feng Qian 0004	Data-Driven Tabulation for Chemistry Integration Using Recurrent Neural Networks.	IEEE Trans. Neural Networks Learn. Syst.	2023	DBLP DOI BibTeX RDF
12	Sevag Gharibian, François Le Gall	Dequantizing the Quantum Singular Value Transformation: Hardness and Applications to Quantum Chemistry and the Quantum PCP Conjecture.	SIAM J. Comput.	2023	DBLP DOI BibTeX RDF
12	Martin Glauer, Till Mossakowski, Fabian Neuhaus, Adel Memariani, Janna Hastings	Neuro-Symbolic Semantic Learning for Chemistry.	Compendium of Neurosymbolic Artificial Intelligence	2023	DBLP DOI BibTeX RDF
12	Alexander Scheeline	Bandwidth - How Mathematics, Physics, and Chemistry Constrain Society		2023	DOI RDF
12	Zdzislaw Trzaska	Mathematical Modelling and Computing in Physics, Chemistry and Biology - Fundamentals and Applications		2023	DOI RDF
12	Markos Stamatakis, Wolfgang Gritz, Jos Oldag, Anett Hoppe, Sascha Schanze, Ralph Ewerth	Automatic Analysis of Student Drawings in Chemistry Classes.	AIED	2023	DBLP DOI BibTeX RDF
12	Shan Jin, Yuyang Wang 0002, Lik-Hang Lee, Xinyi Luo, Pan Hui 0001	Development of an immersive simulator for improving student chemistry learning efficiency.	VINCI	2023	DBLP DOI BibTeX RDF
12	Evgeniia Ondar, Ilya Makarov	Chemistry-Wise Augmentations for Molecule Graph Self-supervised Representation Learning.	IWANN (2)	2023	DBLP DOI BibTeX RDF
12	Weijane Lin, Pei-Luo Hung, Hsiu-Ping Yueh	Design of an AR Application to Support Students with CVD in Learning Chemistry.	HCI (14)	2023	DBLP DOI BibTeX RDF
12	Angelos Angelopoulos, Matthew Verber, Collin McKinney, James Cahoon, Ron Alterovitz	High-Accuracy Injection Using a Mobile Manipulation Robot for Chemistry Lab Automation.	IROS	2023	DBLP DOI BibTeX RDF
12	Jeevesh Kumar, Hemanjaneyulu Kuruva, Harsha B. Variar, Utpreksh Patbhaje, Mayank Shrivastava	Atomic-level Insight and Quantum Chemistry of Ambient Reliability Issues of the TMDs Devices.	IRPS	2023	DBLP DOI BibTeX RDF
12	Carina Arroba, Eulalia Becerra, John Espinoza, Jorge Buele	Innovating Chemistry Education: Integrating Cultural Knowledge through a Practical Guide and Augmented Reality.	CITI	2023	DBLP DOI BibTeX RDF