Philipp Marquetand

Dikutip oleh

	Semua	Sejak 2020
Kutipan	8969	5958
indeks-h	46	36
indeks-i10	88	73

1300

650

325

975

200720082009201020112012201320142015201620172018201920202021202220232024202553 86 83 56 98 112 119 203 227 320 436 629 528 938 1096 1084 1214 1285 336

Akses publik

Lihat semua

77 artikel

4 artikel

tersedia

tidak tersedia

Berdasarkan pada mandat pendanaan

Pengarang bersama

Leticia GonzálezUniversity of Vienna, Faculty of Chemistry, Professor for Theoretical ChemistryEmail yang diverifikasi di univie.ac.at
Volker EngelProfessor theoretische ChemieEmail yang diverifikasi di phys-chemie.uni-wuerzburg.de
Julia WestermayrUniversität LeipzigEmail yang diverifikasi di uni-leipzig.de
Martin RichterDassault Systemes Deutschland GmbHEmail yang diverifikasi di 3ds.com
Tamás RozgonyiWigner Research Centre for PhysicsEmail yang diverifikasi di wigner.hu
Michael GasteggerMicrosoft Research AI4ScienceEmail yang diverifikasi di microsoft.com
thomas weinachtStony Brook UniversityEmail yang diverifikasi di stonybrook.edu
Jesús González-VázquezUniversidad Autónoma de MadridEmail yang diverifikasi di uam.es
Ignacio R. SolaUniversidad ComplutenseEmail yang diverifikasi di quim.ucm.es
Carlos E. Crespo-HernándezProfessor of Chemistry and Associate Dean for Research, College of Arts and Sciences, Case WesternEmail yang diverifikasi di case.edu
Felix PlasserLoughborough UniversityEmail yang diverifikasi di lboro.ac.uk
Marvin PollumEmail yang diverifikasi di case.edu
Brian KaufmanStony Brook UniversityEmail yang diverifikasi di stonybrook.edu
Maximilian F. S. J. MengerUniversity of GroningenEmail yang diverifikasi di rug.nl
Juan Jose Nogueira PérezAutonomous University of MadridEmail yang diverifikasi di uam.es
Markus OppelSenior Scientist, Theoretical Chemistry, University of ViennaEmail yang diverifikasi di univie.ac.at
Jörg BehlerRuhr-Universität BochumEmail yang diverifikasi di ruhr-uni-bochum.de
Susanne UllrichUniversity of Georgia, Department of Physics and AstronomyEmail yang diverifikasi di uga.edu
Vincent TagliamontiL3Harris TechnologiesEmail yang diverifikasi di l3harris.com
Yusong LiuSLAC LCLS and Stanford PULSE InstituteEmail yang diverifikasi di stanford.edu

Ikuti

Philipp Marquetand

Vienna, Austria

Email yang diverifikasi di marquetand.net - Beranda

machine learning theoretical chemistry ab initio molecular dynamics computational chemistry


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019	880	2019
Photoluminescence and conductivity of self‐assembled π–π stacks of perylene bisimide dyes Z Chen, V Stepanenko, V Dehm, P Prins, LDA Siebbeles, J Seibt, ... Chemistry–A European Journal 13 (2), 436-449, 2007	692	2007
SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings M Richter, P Marquetand, J González-Vázquez, I Sola, L González Journal of chemical theory and computation 7 (5), 1253-1258, 2011	550	2011
Machine learning molecular dynamics for the simulation of infrared spectra M Gastegger, J Behler, P Marquetand Chemical science 8 (10), 6924-6935, 2017	540	2017
Nonadiabatic dynamics: The SHARC approach S Mai, P Marquetand, L González Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (6), e1370, 2018	442	2018
Machine learning for electronically excited states of molecules J Westermayr, P Marquetand Chemical Reviews 121 (16), 9873-9926, 2020	364	2020
wACSF—Weighted atom-centered symmetry functions as descriptors in machine learning potentials M Gastegger, L Schwiedrzik, M Bittermann, F Berzsenyi, P Marquetand The Journal of chemical physics 148 (24), 2018	326	2018
A general method to describe intersystem crossing dynamics in trajectory surface hopping S Mai, P Marquetand, L González International Journal of Quantum Chemistry 115 (18), 1215-1231, 2015	318	2015
Machine learning enables long time scale molecular photodynamics simulations J Westermayr, M Gastegger, MFSJ Menger, S Mai, L González, ... Chemical science 10 (35), 8100-8107, 2019	205	2019
Efficient and flexible computation of many-electron wave function overlaps F Plasser, M Ruckenbauer, S Mai, M Oppel, P Marquetand, L González Journal of chemical theory and computation 12 (3), 1207-1219, 2016	203	2016
The origin of efficient triplet state population in sulfur-substituted nucleobases S Mai, M Pollum, L Martínez-Fernández, N Dunn, P Marquetand, I Corral, ... Nature communications 7 (1), 13077, 2016	202	2016
Femtosecond intersystem crossing in the DNA nucleobase cytosine M Richter, P Marquetand, J Gonzalez-Vazquez, I Sola, L González The journal of physical chemistry letters 3 (21), 3090-3095, 2012	191	2012
On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide J Seibt, P Marquetand, V Engel, Z Chen, V Dehm, F Würthner Chemical physics 328 (1-3), 354-362, 2006	184	2006
Combining SchNet and SHARC: The SchNarc machine learning approach for excited-state dynamics J Westermayr, M Gastegger, P Marquetand The journal of physical chemistry letters 11 (10), 3828-3834, 2020	179	2020
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 19 (20), 6933-6991, 2023	157	2023
Intersystem crossing pathways in the noncanonical nucleobase 2-thiouracil: A time-dependent picture S Mai, P Marquetand, L González The journal of physical chemistry letters 7 (11), 1978-1983, 2016	152	2016
High-dimensional neural network potentials for organic reactions and an improved training algorithm M Gastegger, P Marquetand Journal of chemical theory and computation 11 (5), 2187-2198, 2015	150	2015
Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes BFE Curchod, C Rauer, P Marquetand, L González, TJ Martínez The Journal of Chemical Physics 144 (10), 2016	122	2016
Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics M Richter, S Mai, P Marquetand, L González Physical Chemistry Chemical Physics 16 (44), 24423-24436, 2014	121	2014
Singlet and triplet excited‐state dynamics study of the keto and enol tautomers of cytosine S Mai, P Marquetand, M Richter, J González‐Vázquez, L González ChemPhysChem 14 (13), 2920-2931, 2013	110	2013

Sistem tidak dapat melakukan operasi ini. Coba lagi nanti.

Artikel 1–20

Kutipan per tahun

Kutipan duplikat

Kutipan yang digabung

Tambahkan pengarang bersamaPengarang bersama

Ikuti

Dikutip oleh

Pengarang bersama