Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

151 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
Discovering trends in big data: general discussion.
Albornoz RV, Antypov D, Blanke G, Borges I Jr, Marulanda Bran A, Cheung J, Collins CM, David N, Day GM, Deringer VL, Draxl C, Eardley-Brunt A, Evans ML, Fairlamb I, Fieseler K, Franklin BA, George J, Grundy J, Johal J, Kalikadien AV, Kapil V, Kotopanov L, Kumar V, Kuttner C, Lederbauer M, Ojeda-Porras AC, Pang J, Parkes M, Pemberton M, Ruscic B, Ryder MR, Sakaushi K, Saleh G, Savoie BM, Schwaller P, Skjelstad BB, Sun W, Taniguchi T, Taylor CR, Torrisi S, Vishnoi S, Walsh A, Wu R. Albornoz RV, et al. Among authors: kapil v. Faraday Discuss. 2024 Dec 18. doi: 10.1039/d4fd90063d. Online ahead of print. Faraday Discuss. 2024. PMID: 39692143 No abstract available.
Discovering chemical structure: general discussion.
Aspuru-Guzik A, Bechtel T, Bernales V, Biggin PC, Bigi F, Borges I Jr, Briling KR, Cheung J, Collins CM, Darmawan KK, David N, Day GM, Deringer VL, Draxl C, Dyer M, Eardley-Brunt A, Evans R, Fairlamb I, Franklin BA, George J, Goulding M, Grundy J, Hafizi R, Hakkennes M, Hickey N, James G, Juraskova V, Kalikadien AV, Kapil V, Kulik HJ, Kumar V, Kuttner C, Lederbauer M, Lou Y, Mante E, Marsh L, Martin J, Middleton C, Nematiaram T, Pare CWP, Pasca B, Pickard CJ, Ruscic B, Ryder MR, Savoie BM, Sun W, Szczypiński FT, Taniguchi T, Torrisi S, Vishnoi S, Walsh A, Wang S. Aspuru-Guzik A, et al. Among authors: kapil v. Faraday Discuss. 2024 Dec 12. doi: 10.1039/d4fd90061h. Online ahead of print. Faraday Discuss. 2024. PMID: 39665275 No abstract available.
Discovering structure-property correlations: general discussion.
Anker AS, Aspuru-Guzik A, Ben Mahmoud C, Bennett S, Briling KR, Changiarath A, Chong S, Collins CM, Cooper AI, Crusius D, Darmawan KK, Das B, David N, Day GM, Deringer VL, Duarte F, Eardley-Brunt A, Evans ML, Evans R, Fairlamb I, Franklin BA, Frey J, Ganose AM, Goulding M, Hafizi R, Hakkennes M, Hickey N, James G, Jelfs KE, Kalikadien AV, Kapil V, Koczor-Benda Z, Krammer F, Kulik HJ, Kumar V, Kuttner C, Lam E, Lou Y, Mante E, Martin J, Mroz AM, Nematiaram T, Pare CWP, Patra S, Proudfoot J, Ruscic B, Ryder MR, Sakaushi K, Saßmannshausen J, Savoie BM, Schneider N, Schwaller P, Skjelstad BB, Sun W, Szczypiński FT, Torrisi S, Ueltzen K, Vishnoi S, Walsh A, Wang X, Wilson C, Wu R, Zeitler J. Anker AS, et al. Among authors: kapil v. Faraday Discuss. 2024 Dec 13. doi: 10.1039/d4fd90062f. Online ahead of print. Faraday Discuss. 2024. PMID: 39670482 No abstract available.
Discovering synthesis targets: general discussion.
Anker AS, Aspuru-Guzik A, Bechtel T, Bigi F, Briling KR, Das B, David N, Day GM, Deringer VL, Dyer M, Eardley-Brunt A, Evans ML, Evans R, Franklin BA, Ganose AM, George J, Goulding M, Hickey N, James G, Kalikadien AV, Kapil V, Kulik HJ, Kumar V, Kuttner C, Lam E, Lederbauer M, Lou Y, Martin J, Marulanda Bran A, Mathea M, Pickard CJ, Ruscic B, Ryder MR, Sabanza Gil V, Schwaller P, Segler MHS, Sun W, Tanovic S, Treyde W, Walsh A, Wu R. Anker AS, et al. Among authors: kapil v. Faraday Discuss. 2024 Dec 18. doi: 10.1039/d4fd90064b. Online ahead of print. Faraday Discuss. 2024. PMID: 39692150 No abstract available.
Ice interfaces: general discussion.
Advincula XR, Backus EHG, Bartels-Rausch T, Benaglia S, Ben Ari G, Blow KE, Bonn M, Bui AT, Cox SJ, Della Pia F, Diebold U, Finney AR, Franceschi G, Fumagalli L, Goel G, Hayton JA, Holdship C, Jiang Y, Jin D, Kapil V, Kavokine N, Koga K, Laage D, Lahav M, Miao S, Michaelides A, Mohandas N, Morgenstern K, Mukherjee T, Nagata Y, Olvera de la Cruz M, Pan D, Piaggi PM, Rempe SLB, Ryan P, Salzmann CG, Sayer T, Saykally RJ, Shepelenko M, Sosso GC, Whale TF, White JJ, Willard AP, Zhang P. Advincula XR, et al. Among authors: kapil v. Faraday Discuss. 2024 Feb 6;249(0):133-161. doi: 10.1039/d3fd90063k. Faraday Discuss. 2024. PMID: 38174608 No abstract available.
Correlation in extended systems: general discussion.
Alavi A, Atalar K, Berkelbach TC, Booth GH, Chan GK, Evangelista FA, Goldzak T, Grüneis A, Harsha G, Kapil V, Knowles P, Lepetit MB, Liebert J, Nejad A, Neufeld VA, Novoa T, Pernal K, Plasser F, Rehman U, Shi BX, Tew DP, Wang Z, Mejuto-Zaera C, Zgid D, Zhu A, Zhu T, Zwijnenburg MA. Alavi A, et al. Among authors: kapil v. Faraday Discuss. 2024 Nov 6;254(0):682-707. doi: 10.1039/d4fd90044h. Faraday Discuss. 2024. PMID: 39400722 No abstract available.
Stochastic and low-scaling techniques: general discussion.
Alavi A, Allen M, Atalar K, Berkelbach TC, Booth GH, Burton HGA, Chan GK, Craciunescu L, Danilov D, Dobrautz W, Evangelista FA, Filip MA, Giner E, Greene-Diniz G, Grüneis A, Guo Y, Harsha G, Ibrahim B, Kapil V, Kats D, Knowles PJ, Lepetit MB, Liao K, Li Manni G, Loos PF, Magnusson E, Marie A, Mejuto-Zaera C, Neese F, Nejad A, Neufeld VA, Pernal K, Plasser F, Prentice AW, Ravindran V, Rehman U, Reiher M, Schilling C, Scuseria G, Shee J, Shi BX, Szenes K, Tew DP, Thom AJW, Wang Z, Zgid D, Zhu A, Zwijnenburg MA. Alavi A, et al. Among authors: kapil v. Faraday Discuss. 2024 Nov 6;254(0):451-499. doi: 10.1039/d4fd90042a. Faraday Discuss. 2024. PMID: 39404254 No abstract available.
Electrified/charged aqueous interfaces: general discussion.
Advincula XR, Backus EHG, Bonn M, Cox SJ, Diebold U, Fellows A, Finney AR, Goel G, Hedley J, Jiang Y, Jin D, Kapil V, Kavokine N, Klein J, Laage D, Mohandas N, Morgenstern K, Mukherjee T, Olvera de la Cruz M, Orlikowska-Rzeznik H, Perkin S, Piaggi PM, Rodellar CG, Ryan P, Sayer T, Seyffertitz M, Shepelenko M, Sosso GC, Thämer M, Vilangottunjalil A, Walker-Gibbons R, Wang Y, Willard AP, Zhang P. Advincula XR, et al. Among authors: kapil v. Faraday Discuss. 2024 Feb 6;249(0):381-407. doi: 10.1039/d3fd90065g. Faraday Discuss. 2024. PMID: 38170868 No abstract available.
Dynamics and nano-rheology of interfacial water: general discussion.
Advincula XR, Blow KE, Bonn M, Bui AT, Cheng Y, Cox SJ, Della Pia F, Diebold U, Fumagalli L, Goel G, Hayton JA, Jiang Y, Kapil V, Kavokine N, Koga K, Laage D, Lahav M, Miao S, Michaelides A, Montero de Hijes P, Morgenstern K, Mukherjee T, O'Neill N, Pan D, Piaggi PM, Rempe SLB, Salvalaglio M, Salzmann CG, Sayer T, Shepelenko M, Sosso GC, Wang S, Webber B, Willard AP, Yao Y. Advincula XR, et al. Among authors: kapil v. Faraday Discuss. 2024 Feb 6;249(0):243-266. doi: 10.1039/d3fd90064a. Faraday Discuss. 2024. PMID: 38174388 No abstract available.
Stochastic and low-scaling techniques/extended systems: general discussion.
Alavi A, Atalar K, Berkelbach TC, Booth GH, Chen J, Danilov D, Dobrautz W, Evangelista FA, Harsha G, Kapil V, Liao K, Loos PF, Nandipati KR, Plasser F, Prentice AW, Reiher M, Rubenstein B, Shi BX, Thom AJW, Wang Z, Mejuto-Zaera C, Zgid D, Zwijnenburg MA. Alavi A, et al. Among authors: kapil v. Faraday Discuss. 2024 Nov 6;254(0):570-585. doi: 10.1039/d4fd90043j. Faraday Discuss. 2024. PMID: 39399904 No abstract available.
151 results