Computational science

Computational science is a discipline concerned with the design, implementation and use of mathematical models to analyse and solve scientific problems. Typically, the term refers to the use of computers to perform simulations or numerical analysis of a scientific system or process.

Featured

News & Views | 26 January 2023

Using AI to navigate through the DFA zoo
- Stefan Vuckovic
Nature Computational Science 3, 6-7
News & Views | 12 January 2023

Translating single-cell genomics into cell types
- Jesper N. Tegner
Nature Machine Intelligence 5, 11-12

Latest Research and Reviews

Research
08 February 2023 | Open Access

Cartography of Genomic Interactions Enables Deep Analysis of Single-Cell Expression Data

Existing genomic data analysis methods tend to not take full advantage of underlying biological characteristics. Here, the authors leverage the inherent interactions of scRNA-seq data and develop a cartography strategy to contrive the data into a spatially configured genomap for accurate deep pattern discovery.
- Md Tauhidul Islam
- & Lei Xing
Nature Communications 14, 679
Research
08 February 2023 | Open Access

Piecewise-potential-field-based path planning method for fixed-wing UAV formation
- Yuxuan Fang
- , Yiping Yao
- & Kai Chen
Scientific Reports 13, 2234
Research
07 February 2023 | Open Access

Group threat, political extremity, and collective dynamics in online discussions
- N. Gizem Bacaksizlar Turbic
- & Mirta Galesic
Scientific Reports 13, 2206
Research
06 February 2023 | Open Access

Hedonism as a motive for information search: biased information-seeking leads to biased beliefs
- Matthew Jiwa
- , Patrick S. Cooper
- & Stefan Bode
Scientific Reports 13, 2086
Research | 06 February 2023

High-throughput property-driven generative design of functional organic molecules

A generative deep learning model of molecular structure is combined with supervised deep learning models of molecular properties to achieve high-throughput (multi-)property-driven design of organic molecules.
- Julia Westermayr
- , Joe Gilkes
- & Reinhard J. Maurer
Nature Computational Science, 1-10
Research
06 February 2023 | Open Access

Node-based generalized friendship paradox fails
- Anna Evtushenko
- & Jon Kleinberg
Scientific Reports 13, 2074

All Research & Reviews

News and Comment

Editorial | 30 January 2023

Cover runners-up of 2022

Find out more about some of the image submissions from 2022 that almost made it as Nature Computational Science covers.

Nature Computational Science 3, 1
Comments & Opinion | 26 January 2023

A challenge for rounded evaluation of recommender systems

The organizers of the EvalRS recommender systems competition argue that accuracy should not be the only goal and explain how they took robustness and fairness into account.
- Jacopo Tagliabue
- , Federico Bianchi
- & Patrick John Chia
Nature Machine Intelligence, 1-2
News & Views | 26 January 2023

Using AI to navigate through the DFA zoo

A proposed density functional approximation (DFA) recommender outperforms the use of a single functional by selecting the optimal exchange-correlation functional for a given system.
- Stefan Vuckovic
Nature Computational Science 3, 6-7
News & Views | 12 January 2023

Translating single-cell genomics into cell types

Machine translation of languages can now automatically detect different cell types from single-cell transcriptomic data. Such a feat opens the prospect of dissecting complex clinical samples such as heterogenous tumours at scale.
- Jesper N. Tegner
Nature Machine Intelligence 5, 11-12
News & Views | 15 December 2022

Efficient simulators for multi-source nanophotonics

A method for making large-scale nanophotonic simulations more computationally efficient is proposed, enabling a wide range of studies to be less time- and memory-intensive.
- Haitao Liu
Nature Computational Science 2, 777-778
News & Views | 15 December 2022

Synthesizing domain science with machine learning

To understand whether or not the design of machine learning systems can integrate domain expertise, a recent work proposes methodologies to synthesize domain science with machine learning, which shows added benefits.
- Zachary del Rosario
- & Mason del Rosario
Nature Computational Science 2, 779-780

All News & Comment

Computational science

Featured

Using AI to navigate through the DFA zoo

Translating single-cell genomics into cell types

Latest Research and Reviews

Cartography of Genomic Interactions Enables Deep Analysis of Single-Cell Expression Data

Piecewise-potential-field-based path planning method for fixed-wing UAV formation

Group threat, political extremity, and collective dynamics in online discussions

Hedonism as a motive for information search: biased information-seeking leads to biased beliefs

High-throughput property-driven generative design of functional organic molecules

Node-based generalized friendship paradox fails

News and Comment

Cover runners-up of 2022

A challenge for rounded evaluation of recommender systems

Using AI to navigate through the DFA zoo

Translating single-cell genomics into cell types

Efficient simulators for multi-source nanophotonics

Synthesizing domain science with machine learning

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