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Is there a database where we can find previously determined geometries of materials?

ab-initio-calculations crystal-structure databases structure experimental asked Apr 28, 2020 at 18:44

mattermodeling.stackexchange.com

54 votes

What is the closest thing we have to "the" universal density functional?

density-functional-theory ab-initio-calculations functional asked Apr 28, 2020 at 18:49

mattermodeling.stackexchange.com

39 votes

Why does Intel's Haswell chip allow floating point multiplication to be twice as fast as addition?

cpu computer-architecture alu floating-point intel asked Aug 8, 2019 at 22:20

electronics.stackexchange.com

38 votes

"Hats off" to Yaakov!

discussion winter-bash winter-bash-2021 asked Jan 5, 2022 at 5:51

meta.stackexchange.com

33 votes

Where/when did the fields of Operations Research and Spin Physics or Molecular Dynamics begin to cross-pollinate?

condensed-matter model-hamiltonians optimization ising-model history asked May 1, 2020 at 3:47

mattermodeling.stackexchange.com

33 votes

What are the types of DFT?

density-functional-theory one-topic-per-answer td-dft terminology density-functional-tight-binding asked Jul 14, 2020 at 19:21

mattermodeling.stackexchange.com

31 votes

Why do so many programming languages not have a "built-in" way to do simple math functions?

syntax language-design compilers implementation math asked Nov 12, 2023 at 19:37

langdev.stackexchange.com

28 votes

What has caused this apparent stagnancy, in the development of more efficient solar cells?

solar-cells multi-junction-photovoltaics energy-conversion asked May 3, 2020 at 22:00

mattermodeling.stackexchange.com

28 votes

How does one get a visa to go to Saudi Arabia?

visas canadian-citizens saudi-arabia middle-east arabic-language asked Aug 2, 2019 at 2:30

travel.stackexchange.com

27 votes

Why has there been such a huge drop in "new visits" since May 9th, 2022, across multiple sites?

discussion statistics site-analytics asked May 26, 2022 at 18:15

meta.stackexchange.com

Top Answers

Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome?

mattermodeling.stackexchange.com

New Feature: Table Support

meta.stackexchange.com

DeepMind just announced a breakthrough in protein folding, what are the consequences?

mattermodeling.stackexchange.com

Is quantum computing just pie in the sky?

quantumcomputing.stackexchange.com

Feeling guilty about being second author

academia.stackexchange.com

Is there a free package with robust CASSCF functionality?

mattermodeling.stackexchange.com

Was Walter Kohn wrong about this?

mattermodeling.stackexchange.com

Is there any DFT code or software that has the option to use this exact exchange-correlation energy functional?

mattermodeling.stackexchange.com

Which moderator election was decided with the smallest margin?

meta.stackexchange.com

How does the recent Chinese quantum supremacy claim compare with Google's?

mattermodeling.stackexchange.com

A big thank you, Tim Post

meta.stackexchange.com

Update: an agreement with Monica Cellio

meta.stackexchange.com

What are some recent developments in density functional theory?

mattermodeling.stackexchange.com

How accurate are the most accurate calculations?

mattermodeling.stackexchange.com

What's the "Hello, World!" for proof assistants?

proofassistants.stackexchange.com

How to master Fortran with minimal effort?

mattermodeling.stackexchange.com

What is a Padé approximant?

mattermodeling.stackexchange.com

Can a highly-cited published paper have this type of error?

mattermodeling.stackexchange.com

What are some examples of proof assistants doing something useful?

proofassistants.stackexchange.com

What is matter modeling?

mattermodeling.stackexchange.com

What is the largest material that has been studied using density functional theory?

mattermodeling.stackexchange.com

Is it acceptable for a student to connect with a professor on LinkedIn?

academia.stackexchange.com

Is there any good review paper on the density matrix renormalization group (DMRG) method?

mattermodeling.stackexchange.com

What are the common acronyms in Materials Modelling?

mattermodeling.stackexchange.com

What does B3LYP do well? What does it do badly?

mattermodeling.stackexchange.com

What is a good replacement for Gaussian?

mattermodeling.stackexchange.com

Introductory material for quantum machine learning

quantumcomputing.stackexchange.com

Supercomputers around the world

mattermodeling.stackexchange.com

What are the types of charge analysis?

mattermodeling.stackexchange.com

Did D-Wave show quantum advantage in 2023?

quantumcomputing.stackexchange.com