T. Markland
发表
M. Ceriotti,
Lu Wang,
T. Markland,
2020,
Physical chemistry chemical physics : PCCP.
C. Isborn,
T. Zuehlsdorff,
Joel M Milanese,
2018,
The Journal of chemical physics.
S. Boxer,
Yuezhi Mao,
S. Fried,
2022,
The journal of physical chemistry. B.
M. Kanan,
William C Pfalzgraff,
T. Markland,
2017,
Journal of the American Chemical Society.
S. Boxer,
Yuezhi Mao,
Chu Zheng,
2022,
Nature Chemistry.
T. Morawietz,
Kenneth A Jung,
K. Gaffney,
2022,
Physical review letters.
T. Head-Gordon,
O. Marsalek,
Luis Ruiz Pestana,
2018,
The journal of physical chemistry letters.
T. Martínez,
Nathan Luehr,
T. Markland,
2013,
The Journal of chemical physics.
Timothy C. Berkelbach,
D. Reichman,
T. Markland,
2011,
The Journal of chemical physics.
Siqin Cao,
T. Sayer,
Andrés Montoya-Castillo,
2022,
bioRxiv.
Benjamin P. Pritchard,
David L. Dotson,
John E. Herr,
2022,
Scientific Data.
Mark A. Boyer,
O. Marsalek,
Josef Heindel,
2019,
Journal of Physical Chemistry Letters.
Y. Levin,
D. Manolopoulos,
J. Küpper,
2013
.
Thomas E. Markland,
A. Michaelides,
M. A. Morales,
2016,
Chemical reviews.
Thomas F. Miller,
Thomas E. Markland,
D. Manolopoulos,
2013,
Annual review of physical chemistry.
Thomas E. Markland,
Thomas E Markland,
David E Manolopoulos,
2009,
The Journal of chemical physics.
D. Manolopoulos,
Thomas E. Markland,
David E. Manolopoulos,
2008,
The Journal of chemical physics.
Xuhui Huang,
Thomas E Markland,
Andrés Montoya-Castillo,
2020,
The Journal of chemical physics.
David R. Reichman,
Joseph A Morrone,
Kunimasa Miyazaki,
2010,
1011.0015.
B. Berne,
R. A. Nistor,
T. Markland,
2013,
The journal of physical chemistry. B.
Christine M Isborn,
Thomas E Markland,
Andrés Montoya-Castillo,
2019,
The Journal of chemical physics.
Michele Ceriotti,
Thomas E. Markland,
M. Ceriotti,
2018,
1803.01037.
Isotope effects in water as investigated by neutron diffraction and path integral molecular dynamics
Thomas E. Markland,
Thomas E Markland,
Anita Zeidler,
2012,
Journal of physics. Condensed matter : an Institute of Physics journal.
Michele Ceriotti,
Joseph A Morrone,
Thomas E. Markland,
2010,
The Journal of chemical physics.
Lu Wang,
Thomas E Markland,
S. Boxer,
2014,
Proceedings of the National Academy of Sciences.
Thomas E. Markland,
O. Marsalek,
T. Markland,
2015,
The Journal of chemical physics.
Thomas E. Markland,
B. Berne,
B. J. Berne,
2012,
Proceedings of the National Academy of Sciences.
Joseph A Morrone,
Joseph A. Morrone,
B. Berne,
2011,
The Journal of chemical physics.
Thomas E Markland,
Glen M Hocky,
Glen M. Hocky,
2012,
Physical review letters.
Michele Parrinello,
Michele Ceriotti,
Thomas E Markland,
2010,
The Journal of chemical physics.
Andrés Montoya-Castillo,
T. Markland,
2018,
Scientific Reports.
Timothy C. Berkelbach,
Joonho Lee,
D. Reichman,
2022,
2211.16619.
Yuezhi Mao,
Andrés Montoya-Castillo,
T. Markland,
2019,
The Journal of chemical physics.
Aaron Kelly,
Thomas E Markland,
Aaron Kelly,
2013,
The Journal of chemical physics.
Aaron Kelly,
Thomas E Markland,
Andrés Montoya-Castillo,
2019,
The Journal of chemical physics.
Lu Wang,
Aaron Kelly,
Thomas E Markland,
2016,
The Journal of chemical physics.
Thomas E. Markland,
William C Pfalzgraff,
Aaron Kelly,
2015,
The journal of physical chemistry letters.
Thomas E. Markland,
N. Brackbill,
Aaron Kelly,
2015,
The Journal of chemical physics.
Michael S. Chen,
Tim J. Zuehlsdorff,
Tobias Morawietz,
2020,
The journal of physical chemistry letters.
Thomas F. Miller,
Thomas E. Markland,
Y. Levin,
2013
.
Ondrej Marsalek,
Dor Ben-Amotz,
Thomas E. Markland,
2017,
The journal of physical chemistry letters.
Timothy C. Berkelbach,
Thomas E Markland,
David R Reichman,
2011,
The Journal of chemical physics.
M. Tuckerman,
Austin O. Atsango,
T. Markland,
2021,
The journal of physical chemistry letters.
M. Tuckerman,
Austin O. Atsango,
Zhuoran Long,
2020,
The journal of physical chemistry letters.
Ondrej Marsalek,
Thomas E Markland,
O. Marsalek,
2017,
The journal of physical chemistry letters.
Timothy C. Berkelbach,
Joonho Lee,
D. Reichman,
2023,
Journal of chemical theory and computation.
David E. Manolopoulos,
Thomas E. Markland,
D. Manolopoulos,
2008
.
Michele Ceriotti,
Thomas E. Markland,
Thomas E Markland,
2012,
The Journal of chemical physics.
Thomas E Markland,
Lu Wang,
S. Fried,
2017,
The journal of physical chemistry. B.
Lu Wang,
Christine M. Isborn,
Thomas E. Markland,
2022,
Methods in enzymology.
Lu Wang,
Michele Ceriotti,
Thomas E. Markland,
2014,
The Journal of chemical physics.
D. Manolopoulos,
S. Habershon,
T. Markland,
2008,
The Journal of chemical physics.
Ondrej Marsalek,
Thomas E Markland,
O. Marsalek,
2017,
The Journal of chemical physics.
Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics
A. Clark,
O. Marsalek,
Bala Krishnamoorthy,
2021,
Frontiers in Chemistry.
O. Marsalek,
M. Fayer,
Chang Yan,
2019,
ACS central science.
G. Schenter,
C. Mundy,
Santanu Roy,
2020,
The journal of physical chemistry. B.
Kenneth A Jung,
T. Markland,
2022,
The Journal of chemical physics.
Thomas E Markland,
David E Manolopoulos,
D. Manolopoulos,
2009,
The Journal of chemical physics.
C. Isborn,
T. Zuehlsdorff,
Yuezhi Mao,
2023,
The journal of physical chemistry letters.
T. Morawietz,
Nongnuch Artrith,
H. Mori,
2021,
The Journal of chemical physics.
O. Marsalek,
M. Fayer,
Chang Yan,
2019
.
Thomas E. Markland,
Y. Levin,
D. Manolopoulos,
2014
.
Ondrej Marsalek,
Thomas E. Markland,
Christoph Schran,
2017,
1703.06243.
M. Fayer,
William C Pfalzgraff,
Lu Wang,
2016,
Proceedings of the National Academy of Sciences.
Thomas E. Markland,
A. Zeidler,
H. Rauch,
2011,
Physical review letters.
Dor Ben-Amotz,
Thomas E. Markland,
T. Morawietz,
2019,
The journal of physical chemistry letters.
Andrés Montoya-Castillo,
Austin O. Atsango,
T. Markland,
2022,
Journal of Chemical Physics.
Kenneth A Jung,
J. Kelly,
T. Markland,
2023,
The Journal of chemical physics.
T. Markland,
2022
.
T. Morawietz,
O. Marsalek,
Austin O. Atsango,
2023,
The Journal of chemical physics.
Li Wang,
C. Isborn,
T. Markland,
2022,
Methods in enzymology.
O. Marsalek,
M. Fayer,
Chang Yan,
2019,
ACS central science.
Andrew C. Simmonett,
J. Chodera,
Ivy Zhang,
2023,
ArXiv.
Andrés Montoya-Castillo,
T. Markland,
2022,
The Journal of chemical physics.
M. Ceriotti,
T. Markland,
2012,
The Journal of chemical physics.
Aaron Kelly,
Lu Wang,
Andrés Montoya-Castillo,
2016,
The Journal of chemical physics.
J. Chodera,
G. D. Fabritiis,
R. Fino,
2022,
J. Chem. Inf. Model..
NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics
Gianni De Fabritiis,
Roberto Fino,
John D. Chodera,
2022,
ArXiv.
B. Berne,
T. Markland,
2012,
Proceedings of the National Academy of Sciences.
Aaron Kelly,
T. Markland,
2013,
The Journal of chemical physics.
Andrew C. Simmonett,
J. Chodera,
Ivy Zhang,
2023,
ArXiv.
Andrew C. Simmonett,
J. Chodera,
Ivy Zhang,
2023,
The journal of physical chemistry. B.
W. C. Lineberger,
D. Manolopoulos,
Marcel D. Baer,
2013,
Annual review of physical chemistry.
J. Chodera,
T. Markland,
Peter K. Eastman,
2024,
ArXiv.