Biruk Abreha, Snigdha Agarwal, Ian Foster, Ben Blaiszik, Steven Lopez

Biological databases, excited states, materials, organic compounds, solar energy, DFT, Photochemistry, Computational chemistry, Free energy landscapes

Daniel Adrion, Steven Lopez

DFT, Photochemistry, Computational chemistry, Active search

Antonio Elia Forte, Paul Hanakata, Lishuai Jin, Emilia Zari, Ahmad Zareei, Matheus Fernandes, Laura Sumner, Jonathan Alvarez, Katia Bertoldi

Soft matter, inverse design, Machine Learning, membranes, shape morphing, Finite element modeling, Mechanical metamaterials, Non-linear response

Louis Wang, Sawankumar Patel, Erica Truong, Yan-Yan Hu, Sossina Haile

Superionic conductors, Phase transitions, Ion transport, Chemical structure, Crystallography

Jingbai Li, Steven Lopez

Computational chemistry, electrocyclic reactions, Jahn-Teller distortions, Machine Learning, nonadiabatic molecular dynamics, photochemistry, Chemical structure, DFT, Excited-state dynamics, Photochemistr, Free energy landscapes, Neural networks

Ari Seff, Wenda Zhou, Nick Richardson, Ryan Adams

Generative models, Structural Modeling, Optimization

Ashley Suh, Ab Mosca, Shannon Robinson, Quinn Pham, Dylan Cashman, Alvitta Ottley, Remco Chang

Humans-centered computing, information visualization, visualization design and evaluation methods, User interface design, Visual analytics

Jingbai Li, Steven Lopez

Chemical structure, computational chemistry, energy, photochemical reactions, photodynamics, Molecular Dynamics, DFT, Excited-state dynamics, Photochemistry, Machine Learning Potentials, Neural networks, Energy, Photochemical reactions, Photodynamics

Sneha Gathani, Shayan Monadjemi, Alvitta Ottley, Leilani Battle

Theory of computation, algebraic language theory, human-centered computing, visualization theory, concepts and paradigms, Representations, Visual analytics

Gabriel Appleby, Mateus Espadoto, Rui Chen, Samuel Goree, Alexandru Telea, Erik Anderson, Remco Chang

Human-centered computing, visualization techniques, Neural networks, Surrogate Models, Visual analytics

Bolei Deng, Ahmad Zareei, Xiaoxiao Ding, James C. Weaver, Chris H. Rycroft, Katia Bertoldi

Mechanical metamaterials, neural networks, optimization, Mechanical properties, Non-linear response

Sunwoo Ha, Shayan Monadjemi, Roman Garnett, Alvitta Ottley

Data models, prediction algorithms, analytical models, hidden markov models, task analysis, predictive models, Modeling techniques, user study, visual analysis, exploratory data, human-computer interaction, user data, hidden Markov model, board of directors, focus of analysis, evidence of bias, cognitive biases, bayes factor, type of bias, benchmark study, set of metrics, technical ability, user interest, prediction bias, continuous attributes, hellinger distance, crime types, interaction datasets, properties of the dataset, ranking function, visual analytics, analytic provenance, user interaction modeling, Machine Learning, benchmark study, Bayesian methods, Hidden Markov models, Visual analytics

Edward He, Daniel Tolessa, Ashley Suh, Remco Chang

Visual analytics, Human-in-the-Loop

Jane Greenberg, Scott McClellan, Xintong Zhao, Elijah Kellner, David Venator, Haoran Zhao, Jiacheng Shen, Xiaohua Hu, Yuan An

Ontology, facet analysis, facets, automatic indexing, materials science, Knowledge structures, Metadata, FAIR

Rees Chang, Yu-Xiong Wang, Elif Ertekin

Atomistic models, computational methods, Crystallography, DFT, Neural networks, Surrogate Models, Representations

Quan Nguyen, Kaiwen Wu, Jacob Gardner, Roman Garnett

Machine Learning, High-throughput screening, Bayesian methods

Diana Cai, Ryan Adams

Monte Carlo methods, Inverse design, Inference

Shayan Monadjemi, Sunwoo Ha, Quan Nguyen, Henry Chai, Roman Garnet, Alvitta Ottley

Training, technological innovation, Machine Learning algorithms, computational modeling, data visualization, Machine Learning, Discovery data, interactive visualization, active search, learning algorithms, active learning, user study, visual analysis, exploratory data, human-computer interaction, learning community, goal of analysis, Machine Learning community, family of algorithms, participants in group, exploratory analysis, active group, visual system, clean data, objective analysis, flu-like, visual exploration, additional filtering step, random search, visual analytics tool, active learning strategies, active control group, Human-centered computing, visual analytics, human-centered computing, Empirical studies in visualization computing methodologies, active learning settings, Bayesian methods, Inference, Visual analytics

Yuan An, Jane Greenberg, Xioahua Hu, Alex Kalinowski, Xiao Fang, Xintong Zhao, Scott McClellan, Fernando Uribe-Romo, Kyle Langlois, Jacob Furst, Diego Gomez-Gualdron, Fernando Fajardo-Rojas, Katherine Ardila, Semion Saikin, Corey Harper, Ron Daniel

Materials science and technology, big data, benchmark testing, natural language processing, data models, artificial intelligence, domain specific languages, Metal-organic frameworks, language model, pre-trained language models, materials science, applications in materials science, domain-specific models, benchmark datasets, search string, Cambridge crystallographic data centre, original text, Cambridge structural database, Metal-organic frameowkrs structure, Unified medical language system, Benchmark system, synthesis of metal-organic frameworks, encoder-decoder model, SMILES strings, masked language model, Knowledge graph, pre-trained language model, prompt probing, materials science, metal-organic frameworks, Knowledge extraction, Knowledge structures, Natural language processing

Meiirbek Islamov, Hasan Babaei, Ryther Anderson, Kutay Sezginel, Jeffrey Long, Alan McGaughey, Diego Gomez-Gualdron, Christopger Wilmer

Atomistic models, chemical engineering, metal-organic frameworks, Lattices, Metal-organic frameworks, Molecular Dynamics, High-throughput screening

Wei Zeng, Xi Chen, Yihan Hou, Lingdan Shao, Zhe Chu, Remco Chang

Data visualization, visualization, layout, mobile handsets, bars, stacking, design methodology, Visual design, user study, interfacial interaction, simulared annealing, rule-based methods, two-stage framework, mobile phone, mobile devices, aspect ratio, cost function, relative size, readability, bounding box, bar charts, font size, simulated annealing algorithm, white space, horizontal orientation, layout design, visual interface, layout optimization, map view, vertical stacking, space utilization, simulated annealing method, uniform scale, graphical elements, display size, graph topology, design considerations, Multiple-view visualization, responsive design, layout adaptation, mobile devices, User interface design, Visual analytics

Rafael Pastrana, Patrick Ole Ohlbrock, Thomas Oberbichler, Pierluigi D'Acunto, Stefana Parascho

Form-finding, optimization, design tool, structural design, combinatorial equilibrium modeling, Automatic differentiation, Gradient-based methods, Optimization, Structural Modeling

Jane Greenberg, Scott McClellan, Christopher Rauch, Xintong Zhao, Mat Kelly, Yuan An, John Kunze, Rachael Orenstein, Claire Porter, Vanessa Meschke, Eric Toberer

Metadata standards, FAIR metadata, consensus building, community metadata, domain metadata, Knowledge structures, Metadata, Representations, FAIR

Ashley Suh, Gabriel Appleby, Erik Anderson, Luca Finelli, Remco Chang, Dylan Cashman

Data models, data visualization, predictive models, interviews, data science, guidelines, stakeholders, Regression model, prediction model, model performance, model scenarios, set of guidelines, subject matter experts, error metrics, communication gap, data visualization, Machine Learning models, restricted model, present model, example of model, hypothetical scenarios, output model, artificial intelligence models, weak model, round of interviews, individual instances, review of related literature, presentation style, lack of comfort, big tech, visual style, edge of cases, first round of interviews, performance of regression models, interaction techniques, Machine Learning, domain experts, Data communications aspects, human factors, modeling and prediction, visualization techniques and methodologies, Humans, computer graphics, communication, guidelines as topic, Visual analytics, User interface design

Quan Nguyen, Roman Garnett

High-throughput screening, Bayesian methods, Active search

Deniz Oktay, Mehran Mirramezani, Eder Medina, Ryan Adams

Mechanical metamaterials, Autoencoders, Neural networks, Inverse design

Nicholas Weadock, Tyler Sterling, Julian Vigil, Aryeh Gold-Parker, Ian Smith, Ballal Ahammed, Matthew Krogstad, Feng Ye, David Voneshen, Peter Gehrig, Andrew Rappe, Hans-Georg Steinruck, Elif Ertekin, Hemamala Karunadasa, Dmitry Reznik, Michael Toney

Metal halide perovskites, diffuse scattering, local structure, ion migration, molecular dynamics simulations, Molecular Dynamics, Ion transport, Symmetry, Free energy landscapes

Eder Medina, Chris Rycroft, Katia Bertoldi

Shape optimization, flexible structures, automated programming, optimization, Finite element modeling, Mechanical metamaterials, Non-linear response

Andrew Novick, Quan Nguyen, Roman Garnett, Eric Toberer, Vladan Stevanovic

Chemical bonding, composition, entropy, thermodynamics, disordered alloys, Alloys, Phase transitions, DFT, Free energy landscapes

Shayan Monadjemi, Mengtian Guo, David Gotz, Roman Garnett, Alvitta Ottley

Human-centered computing, visual analytics, computing methodologies, multi-agent systems, intelligent agents, Human-in-the-loop

Dan Friedman, Adji Bousso Dieng

Diversity metrics, Search methods