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Thermodynamics For Everyone | high throughput partition functions

A decade ago a new sampling scheme, nested sampling, was introduced in the field of applied probability and inference, to sample probability densities in high-dimensional spaces where the regions contributing most of the probability mass are exponentially localised. In recent years I have been working on adapting the nested sampling approach for exploring atomic configurational…

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Thermodynamics For Everyone | high throughput partition functions | liviabpartay.wordpress.com Reviews

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A decade ago a new sampling scheme, nested sampling, was introduced in the field of applied probability and inference, to sample probability densities in high-dimensional spaces where the regions contributing most of the probability mass are exponentially localised. In recent years I have been working on adapting the nested sampling approach for exploring atomic configurational…

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CV | Thermodynamics For Everyone

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Research Pages of Livia Bartók-Pártay. Contact for Livia Bartók-Pártay. High throughput partition functions. Dorothy Hodgkin Research Fellow of the Royal Society 2014– (Department of Chemistry, University of Cambridge, Cambridge, UK, September 2014-July 2016) Department of Chemistry, University of Reading, Reading, UK. Junior Research Fellow October 2009-2014 St Catharine’s College, Cambridge, UK. Working at the Department of Chemistry, University of Cambridge. Supervisor: Dr Pál Jedlovszky. Determining ...

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About me | Thermodynamics For Everyone

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Research Pages of Livia Bartók-Pártay. Contact for Livia Bartók-Pártay. High throughput partition functions. My name is Livia Bartók-Pártay, and I’m a theoretical chemist, currently working as a Dorothy Hodgkin Research Fellow of the Royal Society at the Department of Chemistry in Reading, UK. I’m interested in developing novel computational techniques for studying matter on the atomistic level. When not occupied by research, me and my husband, Albert. Create a free website or blog at WordPress.com.

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June | 2014 | Thermodynamics For Everyone

https://liviabpartay.wordpress.com/2014/06

Research Pages of Livia Bartók-Pártay. Contact for Livia Bartók-Pártay. High throughput partition functions. Asymp; Leave a comment. Welcome to my research website. My plan is that I will upload research highlights, literature reviews to this space, as well as host my researcher profile. Livia B. Pártay. Determining the pressure-temperature phase diagrams of materials. Follow Thermodynamics For Everyone on WordPress.com. Create a free website or blog at WordPress.com.

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Posts | Thermodynamics For Everyone | high throughput partition functions

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Research Pages of Livia Bartók-Pártay. Contact for Livia Bartók-Pártay. High throughput partition functions. Asymp; Leave a comment. I gave a talk at the Chemistry Research Colloquium at the Chemistry Department, Reading, on Monday 10. Computational thermodynamics: how to calculate phase diagrams without the fuss.”. Determining the pressure-temperature phase diagrams of materials. Asymp; Leave a comment. Asymp; Leave a comment. Livia B. Pártay. Follow Thermodynamics For Everyone on WordPress.com.

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Publications | Thermodynamics For Everyone

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Research Pages of Livia Bartók-Pártay. Contact for Livia Bartók-Pártay. High throughput partition functions. Determining pressure-temperature phase diagrams of materials. Baldock RJN, Pártay LB, Bartók AP, Payne MC, Csányi G. PHYS REV. B. Nested sampling for materials: The case of hard spheres. Pártay LB, Bartók AP, Csányi G. PHYS REV. E. Brewer BJ, Pártay LB, Csányi G. Pártay LB, Horvai G, Jedlovszky P. J PHYS. CHEM. C. Efficient Sampling of Atomic Configurational Spaces. Pártay LB, Bartók AP, Csányi G.

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What is a statistical model? | Plausibility Theory

https://plausibilitytheory.wordpress.com/2015/07/10/what-is-a-statistical-model

Two analogies on ‘Waking Up’. The Ubiquity of Non-Informative Priors →. What is a statistical model? July 10, 2015. Brendon J. Brewer. What is a statistical model? My own views are different. Firstly, I don’t think statistical models are representations of the data at all (barring one exception, which I will discuss later). Instead, they are representations of the. Whether or not we should trust the results of an inference, which is what we usually want to know. About the values of. Is on the x-axis and.

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Bartók-Pártay Klán: April 2015

http://bartokpartay.blogspot.com/2015_04_01_archive.html

Monday, April 27, 2015. Gordiek minden heten kapnak ket konyvet az iskolaban, az a heti hazi feladat, hogy gyakoroljak az olvasasat es a benne szereplo trukkos szavakat. Az egyik soronlevo konyv most a vulkanokrol szolt, meg arrol hogyan keszitsunk egy ures palackbol es ujsagpapirbol vulkant, amibol aztan elotor a lava (szodabikarbona es ecet). Igy:. Ragasszuk a palackot egy kartonlapra es mindenfele talalt papirbol (tojasosdoboztol kezdve papirzacskoig) epitsunk kitartoan egy hegyet kore. Nagyon nagyon ...

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Bartók-Pártay Klán: Tyuk-ugy

http://bartokpartay.blogspot.com/2015/03/tyuk-ugy.html

Friday, March 6, 2015. Mar szurkult, mire a gyerekekkel hazaertem ma delutan. Betessekeltem oket a hazba, es gondoltam, hogy beszedem gyorsan a ruhakat a szaritorol, mig kabatban vagyok. Ahogy a sor vegere erve leakasztottam az utolso trikot, a takarasabol egy tyuk kerult elo. Igen, egy fekete tyuk! Egy talba tettem ki kukoricat, azt odatettem a csuszda tetejere, majd felhivtam a Gabit, hogy mit kell csinalni ha hirtelen az embernek akad egy tyukja. :D. Majd tudositok a tyuk-ugy fejlemenyeirol.

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Bartók-Pártay Klán: Kincskereses

http://bartokpartay.blogspot.com/2015/03/kincskereses.html

Sunday, March 22, 2015. Bar hallottunk mar rola parszor, meg sose probaltuk ki a geocaching-et, azaz a geolada kincskeresest (magyarul rola itt. Biztos vagyok benne, hogy az elkovetkezo hetekben/honapokban sokat fogunk meg ezzel szorakozni :). Kincs a kezben vegre - mindenki orul. Egy kihajtast segito domboru tukor - ez felert egy kinccsel, negyed orat bohockodtak elotte a gyerekek. Subscribe to: Post Comments (Atom). Tyuk-ugy folytatas es Oxburgh Hall.

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Bartók-Pártay Klán: June 2015

http://bartokpartay.blogspot.com/2015_06_01_archive.html

Friday, June 26, 2015. Egy szerencses biciklicseret kovetoen Nora hozzajutott egy pont jo meretu bicajhoz. Nagyon regen varta mar, hogy o is pedalozhasson! Az egy eve tarto futobringazas meghozta az eredmenyet, es par nap alatt egeszen belejott a tekeresbe! Subscribe to: Posts (Atom). Picture Window template. Template images by andynwt.

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Bartók-Pártay Klán: Nora pedalozik

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Friday, June 26, 2015. Egy szerencses biciklicseret kovetoen Nora hozzajutott egy pont jo meretu bicajhoz. Nagyon regen varta mar, hogy o is pedalozhasson! Az egy eve tarto futobringazas meghozta az eredmenyet, es par nap alatt egeszen belejott a tekeresbe! June 27, 2015 at 7:18 AM. Nagyon drága, gratulálok! Subscribe to: Post Comments (Atom). Picture Window template. Template images by andynwt.

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Bartók-Pártay Klán: Tyuk-ugy folytatas es Oxburgh Hall

http://bartokpartay.blogspot.com/2015/03/tyuk-ugy-folytatas-es-oxburgh-hall.html

Saturday, March 7, 2015. Tyuk-ugy folytatas es Oxburgh Hall. Reggel arra ebredtem, hogy Gordi hajnalok hajnalan susogja a fulembe, megvan-e meg a tyukunk. Megvolt :) Boldogan kapirgalt a kertben. Adtunk egy-egy marek kukoricat es zabot neki, amit pillanatok alatt felfalt, aztan csipegetett a kertben tovabb. Rendes allat, a narciszokat es a petrezselymet nem bantotta, amugy szep modszeresen felgereblyezte a kertet, nyilvanvalo, hogy ha maradna, funyirora nem kene koltenunk :D. Amugy meg csoda helyen kiran...

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Inference bait and switch | Plausibility Theory

https://plausibilitytheory.wordpress.com/2015/06/08/inference-bait-and-switch

El cebo y el anzuelo en la inferencia →. Inference bait and switch. June 8, 2015. Brendon J. Brewer. Despite the friendly atmosphere, there is still a lot to be debated, and when the topics come up, all sorts of interesting things can happen, such as the following (poorly reconstructed from memory) conversation I had a couple of weeks ago. I’ve done my best not to misrepresent my colleague’s views. ME: I agree. Additional complaints about people still using p-values in the first place. Which is something...

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El cebo y el anzuelo en la inferencia | Plausibility Theory

https://plausibilitytheory.wordpress.com/2015/06/15/el-cebo-y-el-anzuelo-en-la-inferencia

Inference bait and switch. Two analogies on ‘Waking Up’ →. El cebo y el anzuelo en la inferencia. June 15, 2015. Brendon J. Brewer. Esta es una traducción al español de la entrada “Inference bait and switch” que publiqué recientemente. La traducí para divertirme y practicar mi segundo idioma. Es mi primer intento de traducir algo tan complejo como esto, entonces lo siento por algún error. Muchas gracias a Patricio Maturana Russel. YO: En tu opinión, cómo se deberían usar los valores p? COLEGA: Los cientí...

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Testing model assumptions | Plausibility Theory

https://plausibilitytheory.wordpress.com/2014/09/09/testing-model-assumptions

Hard Integrals →. September 9, 2014. Brendon J. Brewer. We’re usually taught that it’s important to test model assumptions. For example, if your inference assumes the probability distribution for the data is a normal/gaussian distribution, then you should look at a histogram of the data to see if it actually looks like a gaussian. If it doesn’t, then you have a large risk of getting wrong or misleading answers. Or so we’re told. Consider the following simple example. There is a parameter. An important qu...

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Thermodynamics For Everyone | high throughput partition functions

Research Pages of Livia B. Pártay. High throughput partition functions. Research Pages of Livia B. Pártay. A decade ago a new sampling scheme,. For the nearer future my aims are to extend the nested sampling method to be. Suitable for routine use in a wide variety of research fields, from material science to. Biochemistry, and to make it available for a wider community. Currently I am working on calculating the phase diagram of a variety of metals with nested sampling. Blog at WordPress.com.

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